USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 724 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 49 TYR OH : rot -112:sc= -0.32 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -135:sc= 0.517 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.451 (180deg=0.223) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00349) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0119 K(o=-0.012,f=-1.5!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot -123:sc= -4.6! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.37 K(o=-0.37,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 30 SER OG : rot 150:sc= -1.56 USER MOD Single : A 31 GLN : amide:sc= -2.06 K(o=-2.1,f=-0.71) USER MOD Single : A 34 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-4!) USER MOD Single : A 35 LYS NZ :NH3+ -153:sc= -1.51 (180deg=-3.78!) USER MOD Single : A 36 TYR OH : rot 126:sc= 1.1 USER MOD Single : A 37 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.64) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.13 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -86:sc= 1.11 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -4.03! C(o=-4!,f=-5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 60 LYS NZ :NH3+ -149:sc= -0.0627 (180deg=-0.892) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -60:sc= 0.887 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.728 6.913 -7.530 1.00 32.95 N ATOM 2 CA MET A 1 28.543 7.549 -6.887 1.00 32.39 C ATOM 3 C MET A 1 27.962 6.599 -5.838 1.00 30.99 C ATOM 4 O MET A 1 27.913 6.914 -4.664 1.00 30.30 O ATOM 5 CB MET A 1 27.483 7.846 -7.950 1.00 33.11 C ATOM 6 CG MET A 1 27.758 9.214 -8.579 1.00 34.36 C ATOM 7 SD MET A 1 28.922 9.023 -9.952 1.00 35.87 S ATOM 8 CE MET A 1 27.709 9.108 -11.291 1.00 36.96 C ATOM 0 H1 MET A 1 29.897 7.352 -8.458 1.00 32.95 H new ATOM 0 H2 MET A 1 30.564 7.047 -6.926 1.00 32.95 H new ATOM 0 H3 MET A 1 29.551 5.896 -7.655 1.00 32.95 H new ATOM 0 HA MET A 1 28.846 8.480 -6.407 1.00 32.39 H new ATOM 0 HB2 MET A 1 27.496 7.072 -8.717 1.00 33.11 H new ATOM 0 HB3 MET A 1 26.490 7.833 -7.501 1.00 33.11 H new ATOM 0 HG2 MET A 1 26.828 9.656 -8.936 1.00 34.36 H new ATOM 0 HG3 MET A 1 28.168 9.894 -7.832 1.00 34.36 H new ATOM 0 HE1 MET A 1 28.218 9.010 -12.250 1.00 36.96 H new ATOM 0 HE2 MET A 1 26.986 8.300 -11.179 1.00 36.96 H new ATOM 0 HE3 MET A 1 27.191 10.066 -11.252 1.00 36.96 H new ATOM 20 N SER A 2 27.521 5.439 -6.255 1.00 30.69 N ATOM 21 CA SER A 2 26.941 4.459 -5.291 1.00 29.49 C ATOM 22 C SER A 2 27.333 3.040 -5.707 1.00 29.55 C ATOM 23 O SER A 2 27.565 2.769 -6.871 1.00 30.37 O ATOM 24 CB SER A 2 25.417 4.587 -5.290 1.00 29.17 C ATOM 25 OG SER A 2 24.940 4.522 -6.627 1.00 30.24 O ATOM 0 H SER A 2 27.539 5.129 -7.226 1.00 30.69 H new ATOM 0 HA SER A 2 27.324 4.663 -4.291 1.00 29.49 H new ATOM 0 HB2 SER A 2 24.974 3.789 -4.694 1.00 29.17 H new ATOM 0 HB3 SER A 2 25.120 5.530 -4.831 1.00 29.17 H new ATOM 0 HG SER A 2 23.963 4.602 -6.630 1.00 30.24 H new ATOM 31 N LYS A 3 27.407 2.135 -4.764 1.00 28.83 N ATOM 32 CA LYS A 3 27.785 0.730 -5.095 1.00 29.07 C ATOM 33 C LYS A 3 26.947 -0.237 -4.254 1.00 27.79 C ATOM 34 O LYS A 3 26.247 -1.082 -4.780 1.00 28.06 O ATOM 35 CB LYS A 3 29.269 0.516 -4.792 1.00 29.68 C ATOM 36 CG LYS A 3 29.845 -0.519 -5.760 1.00 30.95 C ATOM 37 CD LYS A 3 30.367 0.187 -7.013 1.00 32.39 C ATOM 38 CE LYS A 3 31.493 -0.641 -7.633 1.00 33.77 C ATOM 39 NZ LYS A 3 30.919 -1.860 -8.270 1.00 34.33 N ATOM 0 H LYS A 3 27.221 2.311 -3.777 1.00 28.83 H new ATOM 0 HA LYS A 3 27.600 0.544 -6.153 1.00 29.07 H new ATOM 0 HB2 LYS A 3 29.810 1.458 -4.886 1.00 29.68 H new ATOM 0 HB3 LYS A 3 29.396 0.177 -3.764 1.00 29.68 H new ATOM 0 HG2 LYS A 3 30.652 -1.073 -5.279 1.00 30.95 H new ATOM 0 HG3 LYS A 3 29.078 -1.245 -6.032 1.00 30.95 H new ATOM 0 HD2 LYS A 3 29.559 0.318 -7.733 1.00 32.39 H new ATOM 0 HD3 LYS A 3 30.731 1.182 -6.758 1.00 32.39 H new ATOM 0 HE2 LYS A 3 32.029 -0.048 -8.374 1.00 33.77 H new ATOM 0 HE3 LYS A 3 32.216 -0.923 -6.867 1.00 33.77 H new ATOM 0 HZ1 LYS A 3 31.680 -2.407 -8.721 1.00 34.33 H new ATOM 0 HZ2 LYS A 3 30.455 -2.445 -7.546 1.00 34.33 H new ATOM 0 HZ3 LYS A 3 30.221 -1.580 -8.988 1.00 34.33 H new ATOM 53 N ARG A 4 27.017 -0.119 -2.952 1.00 26.54 N ATOM 54 CA ARG A 4 26.228 -1.028 -2.069 1.00 25.37 C ATOM 55 C ARG A 4 25.637 -0.226 -0.907 1.00 23.85 C ATOM 56 O ARG A 4 26.299 0.611 -0.320 1.00 23.67 O ATOM 57 CB ARG A 4 27.145 -2.123 -1.517 1.00 25.44 C ATOM 58 CG ARG A 4 27.444 -3.143 -2.618 1.00 26.83 C ATOM 59 CD ARG A 4 28.346 -4.247 -2.062 1.00 27.17 C ATOM 60 NE ARG A 4 27.522 -5.212 -1.267 1.00 26.74 N ATOM 61 CZ ARG A 4 27.990 -6.396 -0.924 1.00 27.30 C ATOM 62 NH1 ARG A 4 29.197 -6.784 -1.267 1.00 28.26 N ATOM 63 NH2 ARG A 4 27.236 -7.203 -0.229 1.00 27.09 N ATOM 0 H ARG A 4 27.588 0.570 -2.462 1.00 26.54 H new ATOM 0 HA ARG A 4 25.421 -1.483 -2.644 1.00 25.37 H new ATOM 0 HB2 ARG A 4 28.073 -1.684 -1.151 1.00 25.44 H new ATOM 0 HB3 ARG A 4 26.670 -2.616 -0.669 1.00 25.44 H new ATOM 0 HG2 ARG A 4 26.515 -3.572 -2.992 1.00 26.83 H new ATOM 0 HG3 ARG A 4 27.930 -2.652 -3.461 1.00 26.83 H new ATOM 0 HD2 ARG A 4 28.848 -4.767 -2.878 1.00 27.17 H new ATOM 0 HD3 ARG A 4 29.124 -3.814 -1.434 1.00 27.17 H new ATOM 0 HE ARG A 4 26.578 -4.948 -0.985 1.00 26.74 H new ATOM 0 HH11 ARG A 4 29.796 -6.164 -1.812 1.00 28.26 H new ATOM 0 HH12 ARG A 4 29.535 -7.705 -0.989 1.00 28.26 H new ATOM 0 HH21 ARG A 4 26.296 -6.915 0.043 1.00 27.09 H new ATOM 0 HH22 ARG A 4 27.587 -8.122 0.042 1.00 27.09 H new ATOM 77 N LYS A 5 24.395 -0.475 -0.573 1.00 22.93 N ATOM 78 CA LYS A 5 23.752 0.271 0.550 1.00 21.55 C ATOM 79 C LYS A 5 22.707 -0.620 1.229 1.00 20.30 C ATOM 80 O LYS A 5 21.928 -1.285 0.573 1.00 20.71 O ATOM 81 CB LYS A 5 23.075 1.532 0.006 1.00 21.83 C ATOM 82 CG LYS A 5 22.086 1.152 -1.101 1.00 22.58 C ATOM 83 CD LYS A 5 21.901 2.338 -2.048 1.00 23.52 C ATOM 84 CE LYS A 5 20.780 3.238 -1.525 1.00 23.22 C ATOM 85 NZ LYS A 5 19.483 2.810 -2.121 1.00 23.77 N ATOM 0 H LYS A 5 23.799 -1.164 -1.031 1.00 22.93 H new ATOM 0 HA LYS A 5 24.513 0.553 1.278 1.00 21.55 H new ATOM 0 HB2 LYS A 5 22.554 2.052 0.810 1.00 21.83 H new ATOM 0 HB3 LYS A 5 23.825 2.220 -0.384 1.00 21.83 H new ATOM 0 HG2 LYS A 5 22.455 0.287 -1.652 1.00 22.58 H new ATOM 0 HG3 LYS A 5 21.128 0.868 -0.666 1.00 22.58 H new ATOM 0 HD2 LYS A 5 22.830 2.903 -2.126 1.00 23.52 H new ATOM 0 HD3 LYS A 5 21.659 1.983 -3.050 1.00 23.52 H new ATOM 0 HE2 LYS A 5 20.730 3.180 -0.438 1.00 23.22 H new ATOM 0 HE3 LYS A 5 20.985 4.278 -1.780 1.00 23.22 H new ATOM 0 HZ1 LYS A 5 18.720 3.421 -1.766 1.00 23.77 H new ATOM 0 HZ2 LYS A 5 19.535 2.887 -3.157 1.00 23.77 H new ATOM 0 HZ3 LYS A 5 19.288 1.823 -1.856 1.00 23.77 H new ATOM 99 N ALA A 6 22.690 -0.636 2.538 1.00 18.93 N ATOM 100 CA ALA A 6 21.702 -1.479 3.274 1.00 17.78 C ATOM 101 C ALA A 6 20.419 -0.659 3.538 1.00 16.61 C ATOM 102 O ALA A 6 20.459 0.273 4.318 1.00 15.88 O ATOM 103 CB ALA A 6 22.305 -1.905 4.614 1.00 16.92 C ATOM 0 H ALA A 6 23.322 -0.098 3.131 1.00 18.93 H new ATOM 0 HA ALA A 6 21.459 -2.359 2.678 1.00 17.78 H new ATOM 0 HB1 ALA A 6 21.588 -2.521 5.156 1.00 16.92 H new ATOM 0 HB2 ALA A 6 23.215 -2.478 4.438 1.00 16.92 H new ATOM 0 HB3 ALA A 6 22.542 -1.020 5.204 1.00 16.92 H new ATOM 109 N PRO A 7 19.310 -1.008 2.899 1.00 16.69 N ATOM 110 CA PRO A 7 18.047 -0.270 3.107 1.00 15.87 C ATOM 111 C PRO A 7 17.632 -0.334 4.582 1.00 14.11 C ATOM 112 O PRO A 7 17.713 0.645 5.299 1.00 13.40 O ATOM 113 CB PRO A 7 17.014 -0.984 2.221 1.00 16.58 C ATOM 114 CG PRO A 7 17.741 -2.135 1.483 1.00 17.84 C ATOM 115 CD PRO A 7 19.208 -2.130 1.937 1.00 17.89 C ATOM 0 HA PRO A 7 18.139 0.785 2.850 1.00 15.87 H new ATOM 0 HB2 PRO A 7 16.196 -1.374 2.826 1.00 16.58 H new ATOM 0 HB3 PRO A 7 16.577 -0.287 1.506 1.00 16.58 H new ATOM 0 HG2 PRO A 7 17.273 -3.092 1.713 1.00 17.84 H new ATOM 0 HG3 PRO A 7 17.675 -1.999 0.404 1.00 17.84 H new ATOM 0 HD2 PRO A 7 19.479 -3.076 2.405 1.00 17.89 H new ATOM 0 HD3 PRO A 7 19.882 -1.987 1.092 1.00 17.89 H new ATOM 123 N GLN A 8 17.187 -1.480 5.033 1.00 13.65 N ATOM 124 CA GLN A 8 16.764 -1.615 6.458 1.00 12.20 C ATOM 125 C GLN A 8 17.969 -1.399 7.374 1.00 11.19 C ATOM 126 O GLN A 8 19.010 -2.005 7.198 1.00 11.72 O ATOM 127 CB GLN A 8 16.192 -3.014 6.690 1.00 12.57 C ATOM 128 CG GLN A 8 14.926 -3.193 5.850 1.00 13.35 C ATOM 129 CD GLN A 8 13.708 -2.758 6.668 1.00 13.24 C ATOM 130 OE1 GLN A 8 13.786 -1.830 7.449 1.00 12.79 O ATOM 131 NE2 GLN A 8 12.578 -3.393 6.521 1.00 14.03 N ATOM 0 H GLN A 8 17.099 -2.329 4.474 1.00 13.65 H new ATOM 0 HA GLN A 8 16.002 -0.868 6.681 1.00 12.20 H new ATOM 0 HB2 GLN A 8 16.930 -3.770 6.420 1.00 12.57 H new ATOM 0 HB3 GLN A 8 15.963 -3.154 7.746 1.00 12.57 H new ATOM 0 HG2 GLN A 8 14.995 -2.601 4.937 1.00 13.35 H new ATOM 0 HG3 GLN A 8 14.821 -4.235 5.547 1.00 13.35 H new ATOM 0 HE21 GLN A 8 12.512 -4.172 5.866 1.00 14.03 H new ATOM 0 HE22 GLN A 8 11.760 -3.111 7.061 1.00 14.03 H new ATOM 140 N GLU A 9 17.835 -0.539 8.351 1.00 10.18 N ATOM 141 CA GLU A 9 18.968 -0.275 9.285 1.00 9.88 C ATOM 142 C GLU A 9 18.475 -0.373 10.730 1.00 8.65 C ATOM 143 O GLU A 9 18.993 -1.140 11.520 1.00 8.94 O ATOM 144 CB GLU A 9 19.523 1.128 9.030 1.00 10.71 C ATOM 145 CG GLU A 9 21.008 1.162 9.397 1.00 11.68 C ATOM 146 CD GLU A 9 21.399 2.580 9.815 1.00 12.46 C ATOM 147 OE1 GLU A 9 20.681 3.161 10.613 1.00 12.25 O ATOM 148 OE2 GLU A 9 22.409 3.063 9.332 1.00 13.57 O ATOM 0 H GLU A 9 16.986 -0.007 8.542 1.00 10.18 H new ATOM 0 HA GLU A 9 19.753 -1.013 9.119 1.00 9.88 H new ATOM 0 HB2 GLU A 9 19.390 1.399 7.983 1.00 10.71 H new ATOM 0 HB3 GLU A 9 18.974 1.861 9.621 1.00 10.71 H new ATOM 0 HG2 GLU A 9 21.209 0.464 10.210 1.00 11.68 H new ATOM 0 HG3 GLU A 9 21.611 0.843 8.547 1.00 11.68 H new ATOM 155 N THR A 10 17.479 0.402 11.079 1.00 7.76 N ATOM 156 CA THR A 10 16.946 0.363 12.473 1.00 7.12 C ATOM 157 C THR A 10 15.416 0.369 12.435 1.00 5.72 C ATOM 158 O THR A 10 14.773 -0.572 12.860 1.00 5.52 O ATOM 159 CB THR A 10 17.437 1.594 13.239 1.00 8.22 C ATOM 160 OG1 THR A 10 17.397 2.729 12.387 1.00 8.73 O ATOM 161 CG2 THR A 10 18.872 1.364 13.715 1.00 9.41 C ATOM 0 H THR A 10 17.012 1.061 10.456 1.00 7.76 H new ATOM 0 HA THR A 10 17.295 -0.542 12.970 1.00 7.12 H new ATOM 0 HB THR A 10 16.793 1.764 14.102 1.00 8.22 H new ATOM 0 HG1 THR A 10 17.710 3.518 12.878 1.00 8.73 H new ATOM 0 HG21 THR A 10 19.220 2.242 14.260 1.00 9.41 H new ATOM 0 HG22 THR A 10 18.903 0.494 14.371 1.00 9.41 H new ATOM 0 HG23 THR A 10 19.518 1.192 12.854 1.00 9.41 H new ATOM 169 N LEU A 11 14.834 1.425 11.928 1.00 5.46 N ATOM 170 CA LEU A 11 13.344 1.510 11.856 1.00 4.63 C ATOM 171 C LEU A 11 12.800 0.369 10.992 1.00 3.79 C ATOM 172 O LEU A 11 13.547 -0.329 10.330 1.00 4.68 O ATOM 173 CB LEU A 11 12.943 2.855 11.241 1.00 5.72 C ATOM 174 CG LEU A 11 13.608 3.014 9.870 1.00 6.74 C ATOM 175 CD1 LEU A 11 12.635 2.567 8.777 1.00 7.50 C ATOM 176 CD2 LEU A 11 13.983 4.481 9.650 1.00 8.08 C ATOM 0 H LEU A 11 15.329 2.237 11.559 1.00 5.46 H new ATOM 0 HA LEU A 11 12.928 1.427 12.860 1.00 4.63 H new ATOM 0 HB2 LEU A 11 11.859 2.911 11.139 1.00 5.72 H new ATOM 0 HB3 LEU A 11 13.244 3.671 11.899 1.00 5.72 H new ATOM 0 HG LEU A 11 14.508 2.400 9.830 1.00 6.74 H new ATOM 0 HD11 LEU A 11 13.107 2.680 7.801 1.00 7.50 H new ATOM 0 HD12 LEU A 11 12.368 1.522 8.932 1.00 7.50 H new ATOM 0 HD13 LEU A 11 11.735 3.181 8.818 1.00 7.50 H new ATOM 0 HD21 LEU A 11 14.456 4.593 8.674 1.00 8.08 H new ATOM 0 HD22 LEU A 11 13.084 5.096 9.690 1.00 8.08 H new ATOM 0 HD23 LEU A 11 14.676 4.800 10.428 1.00 8.08 H new ATOM 188 N ASN A 12 11.504 0.175 10.995 1.00 2.89 N ATOM 189 CA ASN A 12 10.903 -0.918 10.176 1.00 2.81 C ATOM 190 C ASN A 12 10.559 -0.380 8.781 1.00 2.01 C ATOM 191 O ASN A 12 11.307 -0.566 7.839 1.00 2.11 O ATOM 192 CB ASN A 12 9.635 -1.436 10.864 1.00 3.67 C ATOM 193 CG ASN A 12 9.987 -2.616 11.771 1.00 4.89 C ATOM 194 OD1 ASN A 12 10.603 -2.442 12.803 1.00 5.14 O ATOM 195 ND2 ASN A 12 9.617 -3.821 11.428 1.00 6.24 N ATOM 0 H ASN A 12 10.836 0.729 11.531 1.00 2.89 H new ATOM 0 HA ASN A 12 11.616 -1.737 10.079 1.00 2.81 H new ATOM 0 HB2 ASN A 12 9.176 -0.639 11.449 1.00 3.67 H new ATOM 0 HB3 ASN A 12 8.904 -1.745 10.117 1.00 3.67 H new ATOM 0 HD21 ASN A 12 9.846 -4.615 12.027 1.00 6.24 H new ATOM 0 HD22 ASN A 12 9.100 -3.968 10.561 1.00 6.24 H new ATOM 202 N GLY A 13 9.434 0.285 8.638 1.00 1.68 N ATOM 203 CA GLY A 13 9.044 0.834 7.304 1.00 1.47 C ATOM 204 C GLY A 13 8.913 -0.307 6.295 1.00 1.35 C ATOM 205 O GLY A 13 8.806 -1.463 6.664 1.00 1.89 O ATOM 0 H GLY A 13 8.771 0.470 9.391 1.00 1.68 H new ATOM 0 HA2 GLY A 13 8.099 1.372 7.384 1.00 1.47 H new ATOM 0 HA3 GLY A 13 9.791 1.550 6.962 1.00 1.47 H new ATOM 209 N GLY A 14 8.921 0.010 5.027 1.00 1.56 N ATOM 210 CA GLY A 14 8.798 -1.049 3.984 1.00 1.59 C ATOM 211 C GLY A 14 7.366 -1.078 3.449 1.00 1.31 C ATOM 212 O GLY A 14 6.889 -2.100 2.993 1.00 1.42 O ATOM 0 H GLY A 14 9.008 0.961 4.668 1.00 1.56 H new ATOM 0 HA2 GLY A 14 9.497 -0.855 3.170 1.00 1.59 H new ATOM 0 HA3 GLY A 14 9.060 -2.020 4.405 1.00 1.59 H new ATOM 216 N ILE A 15 6.679 0.037 3.499 1.00 1.04 N ATOM 217 CA ILE A 15 5.278 0.078 2.990 1.00 0.82 C ATOM 218 C ILE A 15 5.289 0.062 1.467 1.00 0.62 C ATOM 219 O ILE A 15 4.842 -0.879 0.841 1.00 0.70 O ATOM 220 CB ILE A 15 4.586 1.367 3.447 1.00 0.67 C ATOM 221 CG1 ILE A 15 4.600 1.461 4.974 1.00 0.83 C ATOM 222 CG2 ILE A 15 3.135 1.369 2.946 1.00 0.64 C ATOM 223 CD1 ILE A 15 3.922 2.765 5.390 1.00 1.01 C ATOM 0 H ILE A 15 7.030 0.919 3.871 1.00 1.04 H new ATOM 0 HA ILE A 15 4.743 -0.789 3.379 1.00 0.82 H new ATOM 0 HB ILE A 15 5.120 2.224 3.036 1.00 0.67 H new ATOM 0 HG12 ILE A 15 4.079 0.608 5.410 1.00 0.83 H new ATOM 0 HG13 ILE A 15 5.624 1.433 5.345 1.00 0.83 H new ATOM 0 HG21 ILE A 15 2.640 2.285 3.269 1.00 0.64 H new ATOM 0 HG22 ILE A 15 3.126 1.317 1.857 1.00 0.64 H new ATOM 0 HG23 ILE A 15 2.608 0.507 3.355 1.00 0.64 H new ATOM 0 HD11 ILE A 15 3.925 2.846 6.477 1.00 1.01 H new ATOM 0 HD12 ILE A 15 4.463 3.609 4.962 1.00 1.01 H new ATOM 0 HD13 ILE A 15 2.894 2.772 5.028 1.00 1.01 H new ATOM 235 N THR A 16 5.762 1.125 0.873 1.00 0.55 N ATOM 236 CA THR A 16 5.771 1.222 -0.605 1.00 0.54 C ATOM 237 C THR A 16 6.545 0.050 -1.227 1.00 0.62 C ATOM 238 O THR A 16 6.376 -0.262 -2.388 1.00 0.64 O ATOM 239 CB THR A 16 6.425 2.540 -1.024 1.00 0.72 C ATOM 240 OG1 THR A 16 6.585 2.557 -2.438 1.00 0.90 O ATOM 241 CG2 THR A 16 7.793 2.677 -0.348 1.00 0.87 C ATOM 0 H THR A 16 6.145 1.936 1.359 1.00 0.55 H new ATOM 0 HA THR A 16 4.741 1.185 -0.960 1.00 0.54 H new ATOM 0 HB THR A 16 5.792 3.373 -0.719 1.00 0.72 H new ATOM 0 HG1 THR A 16 7.530 2.696 -2.659 1.00 0.90 H new ATOM 0 HG21 THR A 16 8.255 3.617 -0.649 1.00 0.87 H new ATOM 0 HG22 THR A 16 7.667 2.665 0.735 1.00 0.87 H new ATOM 0 HG23 THR A 16 8.432 1.846 -0.648 1.00 0.87 H new ATOM 249 N ASP A 17 7.405 -0.587 -0.469 1.00 0.73 N ATOM 250 CA ASP A 17 8.200 -1.725 -1.021 1.00 0.87 C ATOM 251 C ASP A 17 7.315 -2.961 -1.209 1.00 0.83 C ATOM 252 O ASP A 17 7.041 -3.374 -2.319 1.00 0.98 O ATOM 253 CB ASP A 17 9.337 -2.061 -0.054 1.00 1.03 C ATOM 254 CG ASP A 17 10.490 -1.076 -0.252 1.00 1.99 C ATOM 255 OD1 ASP A 17 10.755 -0.727 -1.390 1.00 2.90 O ATOM 256 OD2 ASP A 17 11.086 -0.685 0.738 1.00 2.84 O ATOM 0 H ASP A 17 7.590 -0.366 0.510 1.00 0.73 H new ATOM 0 HA ASP A 17 8.604 -1.433 -1.990 1.00 0.87 H new ATOM 0 HB2 ASP A 17 8.979 -2.014 0.974 1.00 1.03 H new ATOM 0 HB3 ASP A 17 9.683 -3.080 -0.225 1.00 1.03 H new ATOM 261 N MET A 18 6.887 -3.564 -0.130 1.00 0.88 N ATOM 262 CA MET A 18 6.041 -4.791 -0.229 1.00 0.98 C ATOM 263 C MET A 18 4.714 -4.487 -0.943 1.00 0.79 C ATOM 264 O MET A 18 4.053 -5.389 -1.431 1.00 0.86 O ATOM 265 CB MET A 18 5.757 -5.321 1.182 1.00 1.22 C ATOM 266 CG MET A 18 6.701 -6.485 1.497 1.00 1.86 C ATOM 267 SD MET A 18 5.921 -7.586 2.705 1.00 1.94 S ATOM 268 CE MET A 18 5.437 -8.899 1.555 1.00 2.69 C ATOM 0 H MET A 18 7.089 -3.257 0.822 1.00 0.88 H new ATOM 0 HA MET A 18 6.578 -5.541 -0.810 1.00 0.98 H new ATOM 0 HB2 MET A 18 5.890 -4.524 1.914 1.00 1.22 H new ATOM 0 HB3 MET A 18 4.721 -5.651 1.255 1.00 1.22 H new ATOM 0 HG2 MET A 18 6.934 -7.035 0.585 1.00 1.86 H new ATOM 0 HG3 MET A 18 7.644 -6.106 1.891 1.00 1.86 H new ATOM 0 HE1 MET A 18 4.930 -9.694 2.102 1.00 2.69 H new ATOM 0 HE2 MET A 18 4.764 -8.492 0.800 1.00 2.69 H new ATOM 0 HE3 MET A 18 6.325 -9.303 1.069 1.00 2.69 H new ATOM 278 N LEU A 19 4.324 -3.236 -1.032 1.00 0.62 N ATOM 279 CA LEU A 19 3.050 -2.908 -1.733 1.00 0.58 C ATOM 280 C LEU A 19 3.329 -2.960 -3.230 1.00 0.46 C ATOM 281 O LEU A 19 2.604 -3.565 -4.001 1.00 0.55 O ATOM 282 CB LEU A 19 2.563 -1.511 -1.330 1.00 0.64 C ATOM 283 CG LEU A 19 1.037 -1.532 -1.178 1.00 0.67 C ATOM 284 CD1 LEU A 19 0.668 -2.145 0.174 1.00 2.29 C ATOM 285 CD2 LEU A 19 0.486 -0.106 -1.253 1.00 1.58 C ATOM 0 H LEU A 19 4.831 -2.437 -0.651 1.00 0.62 H new ATOM 0 HA LEU A 19 2.270 -3.620 -1.463 1.00 0.58 H new ATOM 0 HB2 LEU A 19 3.029 -1.207 -0.393 1.00 0.64 H new ATOM 0 HB3 LEU A 19 2.855 -0.780 -2.084 1.00 0.64 H new ATOM 0 HG LEU A 19 0.606 -2.128 -1.983 1.00 0.67 H new ATOM 0 HD11 LEU A 19 -0.416 -2.160 0.283 1.00 2.29 H new ATOM 0 HD12 LEU A 19 1.053 -3.163 0.229 1.00 2.29 H new ATOM 0 HD13 LEU A 19 1.105 -1.549 0.975 1.00 2.29 H new ATOM 0 HD21 LEU A 19 -0.598 -0.129 -1.144 1.00 1.58 H new ATOM 0 HD22 LEU A 19 0.918 0.494 -0.452 1.00 1.58 H new ATOM 0 HD23 LEU A 19 0.745 0.334 -2.216 1.00 1.58 H new ATOM 297 N VAL A 20 4.413 -2.355 -3.631 1.00 0.47 N ATOM 298 CA VAL A 20 4.809 -2.378 -5.061 1.00 0.61 C ATOM 299 C VAL A 20 5.130 -3.831 -5.457 1.00 0.64 C ATOM 300 O VAL A 20 5.087 -4.182 -6.619 1.00 0.75 O ATOM 301 CB VAL A 20 6.040 -1.476 -5.243 1.00 0.77 C ATOM 302 CG1 VAL A 20 6.597 -1.609 -6.660 1.00 0.92 C ATOM 303 CG2 VAL A 20 5.637 -0.020 -5.003 1.00 0.83 C ATOM 0 H VAL A 20 5.046 -1.841 -3.019 1.00 0.47 H new ATOM 0 HA VAL A 20 4.005 -2.009 -5.698 1.00 0.61 H new ATOM 0 HB VAL A 20 6.806 -1.780 -4.530 1.00 0.77 H new ATOM 0 HG11 VAL A 20 7.468 -0.963 -6.771 1.00 0.92 H new ATOM 0 HG12 VAL A 20 6.887 -2.644 -6.841 1.00 0.92 H new ATOM 0 HG13 VAL A 20 5.834 -1.315 -7.380 1.00 0.92 H new ATOM 0 HG21 VAL A 20 6.507 0.624 -5.131 1.00 0.83 H new ATOM 0 HG22 VAL A 20 4.865 0.266 -5.717 1.00 0.83 H new ATOM 0 HG23 VAL A 20 5.251 0.088 -3.989 1.00 0.83 H new ATOM 313 N GLU A 21 5.442 -4.676 -4.497 1.00 0.66 N ATOM 314 CA GLU A 21 5.750 -6.099 -4.815 1.00 0.78 C ATOM 315 C GLU A 21 4.470 -6.786 -5.295 1.00 0.71 C ATOM 316 O GLU A 21 4.477 -7.528 -6.265 1.00 0.74 O ATOM 317 CB GLU A 21 6.272 -6.806 -3.562 1.00 0.91 C ATOM 318 CG GLU A 21 7.250 -7.909 -3.967 1.00 1.33 C ATOM 319 CD GLU A 21 7.192 -9.046 -2.945 1.00 1.62 C ATOM 320 OE1 GLU A 21 6.099 -9.371 -2.511 1.00 2.62 O ATOM 321 OE2 GLU A 21 8.242 -9.572 -2.613 1.00 2.42 O ATOM 0 H GLU A 21 5.495 -4.434 -3.507 1.00 0.66 H new ATOM 0 HA GLU A 21 6.511 -6.147 -5.594 1.00 0.78 H new ATOM 0 HB2 GLU A 21 6.767 -6.089 -2.907 1.00 0.91 H new ATOM 0 HB3 GLU A 21 5.441 -7.231 -2.999 1.00 0.91 H new ATOM 0 HG2 GLU A 21 7.000 -8.285 -4.959 1.00 1.33 H new ATOM 0 HG3 GLU A 21 8.262 -7.509 -4.024 1.00 1.33 H new ATOM 328 N LEU A 22 3.361 -6.535 -4.632 1.00 0.68 N ATOM 329 CA LEU A 22 2.079 -7.168 -5.066 1.00 0.71 C ATOM 330 C LEU A 22 1.773 -6.740 -6.501 1.00 0.62 C ATOM 331 O LEU A 22 1.254 -7.506 -7.287 1.00 0.65 O ATOM 332 CB LEU A 22 0.922 -6.744 -4.156 1.00 0.90 C ATOM 333 CG LEU A 22 -0.093 -7.893 -4.036 1.00 1.11 C ATOM 334 CD1 LEU A 22 -1.290 -7.433 -3.211 1.00 1.70 C ATOM 335 CD2 LEU A 22 -0.589 -8.315 -5.425 1.00 1.69 C ATOM 0 H LEU A 22 3.293 -5.925 -3.818 1.00 0.68 H new ATOM 0 HA LEU A 22 2.187 -8.251 -5.006 1.00 0.71 H new ATOM 0 HB2 LEU A 22 1.302 -6.477 -3.170 1.00 0.90 H new ATOM 0 HB3 LEU A 22 0.435 -5.857 -4.561 1.00 0.90 H new ATOM 0 HG LEU A 22 0.397 -8.738 -3.553 1.00 1.11 H new ATOM 0 HD11 LEU A 22 -2.009 -8.248 -3.127 1.00 1.70 H new ATOM 0 HD12 LEU A 22 -0.955 -7.140 -2.216 1.00 1.70 H new ATOM 0 HD13 LEU A 22 -1.763 -6.581 -3.700 1.00 1.70 H new ATOM 0 HD21 LEU A 22 -1.307 -9.129 -5.323 1.00 1.69 H new ATOM 0 HD22 LEU A 22 -1.069 -7.467 -5.913 1.00 1.69 H new ATOM 0 HD23 LEU A 22 0.256 -8.649 -6.027 1.00 1.69 H new ATOM 347 N ALA A 23 2.115 -5.525 -6.850 1.00 0.61 N ATOM 348 CA ALA A 23 1.872 -5.055 -8.245 1.00 0.67 C ATOM 349 C ALA A 23 2.869 -5.754 -9.174 1.00 0.70 C ATOM 350 O ALA A 23 2.586 -6.004 -10.330 1.00 0.79 O ATOM 351 CB ALA A 23 2.065 -3.541 -8.324 1.00 0.79 C ATOM 0 H ALA A 23 2.550 -4.842 -6.231 1.00 0.61 H new ATOM 0 HA ALA A 23 0.852 -5.293 -8.545 1.00 0.67 H new ATOM 0 HB1 ALA A 23 1.886 -3.204 -9.345 1.00 0.79 H new ATOM 0 HB2 ALA A 23 1.362 -3.049 -7.651 1.00 0.79 H new ATOM 0 HB3 ALA A 23 3.084 -3.288 -8.032 1.00 0.79 H new ATOM 357 N ASN A 24 4.030 -6.089 -8.663 1.00 0.72 N ATOM 358 CA ASN A 24 5.050 -6.795 -9.490 1.00 0.85 C ATOM 359 C ASN A 24 4.734 -8.301 -9.540 1.00 0.76 C ATOM 360 O ASN A 24 5.461 -9.061 -10.149 1.00 0.88 O ATOM 361 CB ASN A 24 6.439 -6.581 -8.878 1.00 1.11 C ATOM 362 CG ASN A 24 7.466 -6.370 -9.994 1.00 1.71 C ATOM 363 OD1 ASN A 24 7.150 -5.818 -11.029 1.00 2.52 O ATOM 364 ND2 ASN A 24 8.691 -6.789 -9.825 1.00 2.16 N ATOM 0 H ASN A 24 4.313 -5.901 -7.701 1.00 0.72 H new ATOM 0 HA ASN A 24 5.032 -6.394 -10.503 1.00 0.85 H new ATOM 0 HB2 ASN A 24 6.426 -5.716 -8.214 1.00 1.11 H new ATOM 0 HB3 ASN A 24 6.717 -7.443 -8.272 1.00 1.11 H new ATOM 0 HD21 ASN A 24 9.383 -6.653 -10.562 1.00 2.16 H new ATOM 0 HD22 ASN A 24 8.956 -7.252 -8.956 1.00 2.16 H new ATOM 371 N PHE A 25 3.656 -8.737 -8.902 1.00 0.69 N ATOM 372 CA PHE A 25 3.261 -10.192 -8.900 1.00 0.80 C ATOM 373 C PHE A 25 3.445 -10.806 -10.299 1.00 0.93 C ATOM 374 O PHE A 25 3.958 -11.897 -10.446 1.00 1.23 O ATOM 375 CB PHE A 25 1.781 -10.285 -8.487 1.00 0.75 C ATOM 376 CG PHE A 25 1.638 -10.796 -7.062 1.00 0.94 C ATOM 377 CD1 PHE A 25 2.571 -10.449 -6.073 1.00 2.35 C ATOM 378 CD2 PHE A 25 0.550 -11.614 -6.735 1.00 1.54 C ATOM 379 CE1 PHE A 25 2.414 -10.922 -4.765 1.00 2.57 C ATOM 380 CE2 PHE A 25 0.393 -12.085 -5.427 1.00 1.60 C ATOM 381 CZ PHE A 25 1.326 -11.740 -4.442 1.00 1.48 C ATOM 0 H PHE A 25 3.026 -8.132 -8.375 1.00 0.69 H new ATOM 0 HA PHE A 25 3.892 -10.742 -8.202 1.00 0.80 H new ATOM 0 HB2 PHE A 25 1.315 -9.304 -8.573 1.00 0.75 H new ATOM 0 HB3 PHE A 25 1.252 -10.950 -9.169 1.00 0.75 H new ATOM 0 HD1 PHE A 25 3.411 -9.817 -6.321 1.00 2.35 H new ATOM 0 HD2 PHE A 25 -0.170 -11.882 -7.494 1.00 1.54 H new ATOM 0 HE1 PHE A 25 3.133 -10.655 -4.005 1.00 2.57 H new ATOM 0 HE2 PHE A 25 -0.448 -12.715 -5.177 1.00 1.60 H new ATOM 0 HZ PHE A 25 1.206 -12.105 -3.433 1.00 1.48 H new ATOM 391 N GLU A 26 3.048 -10.090 -11.322 1.00 0.88 N ATOM 392 CA GLU A 26 3.214 -10.593 -12.726 1.00 1.11 C ATOM 393 C GLU A 26 2.682 -12.028 -12.867 1.00 1.26 C ATOM 394 O GLU A 26 3.203 -12.812 -13.639 1.00 1.71 O ATOM 395 CB GLU A 26 4.699 -10.571 -13.092 1.00 1.37 C ATOM 396 CG GLU A 26 4.851 -10.502 -14.612 1.00 2.19 C ATOM 397 CD GLU A 26 6.142 -11.212 -15.029 1.00 2.80 C ATOM 398 OE1 GLU A 26 6.140 -12.432 -15.062 1.00 4.05 O ATOM 399 OE2 GLU A 26 7.109 -10.523 -15.306 1.00 2.99 O ATOM 0 H GLU A 26 2.612 -9.171 -11.246 1.00 0.88 H new ATOM 0 HA GLU A 26 2.645 -9.947 -13.395 1.00 1.11 H new ATOM 0 HB2 GLU A 26 5.186 -9.713 -12.628 1.00 1.37 H new ATOM 0 HB3 GLU A 26 5.192 -11.464 -12.707 1.00 1.37 H new ATOM 0 HG2 GLU A 26 3.994 -10.970 -15.095 1.00 2.19 H new ATOM 0 HG3 GLU A 26 4.873 -9.462 -14.939 1.00 2.19 H new ATOM 406 N LYS A 27 1.654 -12.372 -12.135 1.00 1.15 N ATOM 407 CA LYS A 27 1.092 -13.753 -12.233 1.00 1.43 C ATOM 408 C LYS A 27 -0.313 -13.777 -11.621 1.00 1.50 C ATOM 409 O LYS A 27 -1.305 -13.751 -12.326 1.00 1.59 O ATOM 410 CB LYS A 27 2.011 -14.732 -11.483 1.00 1.77 C ATOM 411 CG LYS A 27 2.740 -15.632 -12.486 1.00 2.12 C ATOM 412 CD LYS A 27 3.890 -16.357 -11.783 1.00 3.06 C ATOM 413 CE LYS A 27 5.000 -16.652 -12.793 1.00 3.80 C ATOM 414 NZ LYS A 27 6.145 -17.302 -12.095 1.00 5.01 N ATOM 0 H LYS A 27 1.179 -11.757 -11.474 1.00 1.15 H new ATOM 0 HA LYS A 27 1.029 -14.052 -13.279 1.00 1.43 H new ATOM 0 HB2 LYS A 27 2.735 -14.179 -10.884 1.00 1.77 H new ATOM 0 HB3 LYS A 27 1.425 -15.340 -10.794 1.00 1.77 H new ATOM 0 HG2 LYS A 27 2.046 -16.357 -12.911 1.00 2.12 H new ATOM 0 HG3 LYS A 27 3.124 -15.035 -13.313 1.00 2.12 H new ATOM 0 HD2 LYS A 27 4.277 -15.744 -10.970 1.00 3.06 H new ATOM 0 HD3 LYS A 27 3.531 -17.286 -11.339 1.00 3.06 H new ATOM 0 HE2 LYS A 27 4.625 -17.303 -13.583 1.00 3.80 H new ATOM 0 HE3 LYS A 27 5.328 -15.728 -13.270 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 6.901 -17.503 -12.781 1.00 5.01 H new ATOM 0 HZ2 LYS A 27 6.508 -16.666 -11.357 1.00 5.01 H new ATOM 0 HZ3 LYS A 27 5.827 -18.191 -11.660 1.00 5.01 H new ATOM 428 N ASN A 28 -0.403 -13.827 -10.316 1.00 1.60 N ATOM 429 CA ASN A 28 -1.737 -13.852 -9.650 1.00 1.86 C ATOM 430 C ASN A 28 -2.441 -12.504 -9.854 1.00 1.70 C ATOM 431 O ASN A 28 -3.652 -12.416 -9.778 1.00 2.04 O ATOM 432 CB ASN A 28 -1.548 -14.118 -8.150 1.00 2.04 C ATOM 433 CG ASN A 28 -1.954 -15.558 -7.823 1.00 2.95 C ATOM 434 OD1 ASN A 28 -1.121 -16.372 -7.477 1.00 4.36 O ATOM 435 ND2 ASN A 28 -3.208 -15.908 -7.918 1.00 2.95 N ATOM 0 H ASN A 28 0.395 -13.852 -9.682 1.00 1.60 H new ATOM 0 HA ASN A 28 -2.349 -14.642 -10.085 1.00 1.86 H new ATOM 0 HB2 ASN A 28 -0.508 -13.951 -7.870 1.00 2.04 H new ATOM 0 HB3 ASN A 28 -2.150 -13.420 -7.569 1.00 2.04 H new ATOM 0 HD21 ASN A 28 -3.488 -16.865 -7.702 1.00 2.95 H new ATOM 0 HD22 ASN A 28 -3.908 -15.225 -8.208 1.00 2.95 H new ATOM 442 N VAL A 29 -1.692 -11.457 -10.102 1.00 1.42 N ATOM 443 CA VAL A 29 -2.315 -10.116 -10.300 1.00 1.46 C ATOM 444 C VAL A 29 -2.294 -9.745 -11.788 1.00 1.87 C ATOM 445 O VAL A 29 -3.126 -8.992 -12.257 1.00 2.71 O ATOM 446 CB VAL A 29 -1.535 -9.079 -9.483 1.00 1.00 C ATOM 447 CG1 VAL A 29 -2.247 -7.728 -9.553 1.00 1.24 C ATOM 448 CG2 VAL A 29 -1.451 -9.539 -8.018 1.00 1.09 C ATOM 0 H VAL A 29 -0.675 -11.476 -10.175 1.00 1.42 H new ATOM 0 HA VAL A 29 -3.352 -10.137 -9.964 1.00 1.46 H new ATOM 0 HB VAL A 29 -0.530 -8.979 -9.892 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -1.691 -6.993 -8.972 1.00 1.24 H new ATOM 0 HG12 VAL A 29 -2.305 -7.401 -10.591 1.00 1.24 H new ATOM 0 HG13 VAL A 29 -3.254 -7.826 -9.146 1.00 1.24 H new ATOM 0 HG21 VAL A 29 -0.897 -8.802 -7.437 1.00 1.09 H new ATOM 0 HG22 VAL A 29 -2.457 -9.641 -7.610 1.00 1.09 H new ATOM 0 HG23 VAL A 29 -0.940 -10.500 -7.967 1.00 1.09 H new ATOM 458 N SER A 30 -1.354 -10.273 -12.535 1.00 1.98 N ATOM 459 CA SER A 30 -1.282 -9.959 -13.994 1.00 2.51 C ATOM 460 C SER A 30 -2.107 -10.985 -14.778 1.00 3.45 C ATOM 461 O SER A 30 -2.465 -12.021 -14.255 1.00 4.62 O ATOM 462 CB SER A 30 0.174 -10.015 -14.457 1.00 2.83 C ATOM 463 OG SER A 30 0.596 -11.370 -14.517 1.00 4.10 O ATOM 0 H SER A 30 -0.633 -10.909 -12.195 1.00 1.98 H new ATOM 0 HA SER A 30 -1.681 -8.960 -14.171 1.00 2.51 H new ATOM 0 HB2 SER A 30 0.274 -9.547 -15.436 1.00 2.83 H new ATOM 0 HB3 SER A 30 0.808 -9.455 -13.770 1.00 2.83 H new ATOM 0 HG SER A 30 1.275 -11.470 -15.216 1.00 4.10 H new ATOM 469 N GLN A 31 -2.407 -10.689 -16.030 1.00 3.66 N ATOM 470 CA GLN A 31 -3.218 -11.613 -16.912 1.00 4.90 C ATOM 471 C GLN A 31 -4.722 -11.397 -16.680 1.00 5.22 C ATOM 472 O GLN A 31 -5.495 -11.333 -17.618 1.00 5.97 O ATOM 473 CB GLN A 31 -2.862 -13.093 -16.665 1.00 5.80 C ATOM 474 CG GLN A 31 -2.772 -13.835 -18.002 1.00 6.39 C ATOM 475 CD GLN A 31 -4.141 -13.835 -18.684 1.00 6.66 C ATOM 476 OE1 GLN A 31 -4.921 -14.751 -18.510 1.00 7.76 O ATOM 477 NE2 GLN A 31 -4.470 -12.837 -19.458 1.00 6.33 N ATOM 0 H GLN A 31 -2.117 -9.826 -16.489 1.00 3.66 H new ATOM 0 HA GLN A 31 -2.973 -11.372 -17.946 1.00 4.90 H new ATOM 0 HB2 GLN A 31 -1.913 -13.165 -16.134 1.00 5.80 H new ATOM 0 HB3 GLN A 31 -3.617 -13.557 -16.031 1.00 5.80 H new ATOM 0 HG2 GLN A 31 -2.034 -13.356 -18.646 1.00 6.39 H new ATOM 0 HG3 GLN A 31 -2.436 -14.859 -17.839 1.00 6.39 H new ATOM 0 HE21 GLN A 31 -3.816 -12.068 -19.604 1.00 6.33 H new ATOM 0 HE22 GLN A 31 -5.381 -12.826 -19.916 1.00 6.33 H new ATOM 486 N ALA A 32 -5.143 -11.268 -15.447 1.00 5.13 N ATOM 487 CA ALA A 32 -6.583 -11.040 -15.152 1.00 5.58 C ATOM 488 C ALA A 32 -6.656 -9.898 -14.149 1.00 4.20 C ATOM 489 O ALA A 32 -7.067 -10.064 -13.016 1.00 4.70 O ATOM 490 CB ALA A 32 -7.199 -12.309 -14.555 1.00 7.05 C ATOM 0 H ALA A 32 -4.540 -11.312 -14.625 1.00 5.13 H new ATOM 0 HA ALA A 32 -7.135 -10.793 -16.059 1.00 5.58 H new ATOM 0 HB1 ALA A 32 -8.254 -12.136 -14.341 1.00 7.05 H new ATOM 0 HB2 ALA A 32 -7.103 -13.129 -15.266 1.00 7.05 H new ATOM 0 HB3 ALA A 32 -6.679 -12.566 -13.632 1.00 7.05 H new ATOM 496 N ILE A 33 -6.214 -8.739 -14.560 1.00 2.92 N ATOM 497 CA ILE A 33 -6.193 -7.555 -13.650 1.00 1.72 C ATOM 498 C ILE A 33 -7.538 -7.365 -12.940 1.00 2.39 C ATOM 499 O ILE A 33 -8.590 -7.686 -13.457 1.00 3.89 O ATOM 500 CB ILE A 33 -5.855 -6.280 -14.441 1.00 1.91 C ATOM 501 CG1 ILE A 33 -4.655 -6.500 -15.389 1.00 2.38 C ATOM 502 CG2 ILE A 33 -5.507 -5.170 -13.449 1.00 2.92 C ATOM 503 CD1 ILE A 33 -3.476 -7.136 -14.640 1.00 2.12 C ATOM 0 H ILE A 33 -5.862 -8.560 -15.500 1.00 2.92 H new ATOM 0 HA ILE A 33 -5.427 -7.738 -12.897 1.00 1.72 H new ATOM 0 HB ILE A 33 -6.720 -6.010 -15.047 1.00 1.91 H new ATOM 0 HG12 ILE A 33 -4.954 -7.142 -16.218 1.00 2.38 H new ATOM 0 HG13 ILE A 33 -4.347 -5.547 -15.819 1.00 2.38 H new ATOM 0 HG21 ILE A 33 -5.264 -4.258 -13.994 1.00 2.92 H new ATOM 0 HG22 ILE A 33 -6.359 -4.986 -12.795 1.00 2.92 H new ATOM 0 HG23 ILE A 33 -4.649 -5.474 -12.850 1.00 2.92 H new ATOM 0 HD11 ILE A 33 -2.643 -7.281 -15.328 1.00 2.12 H new ATOM 0 HD12 ILE A 33 -3.165 -6.480 -13.827 1.00 2.12 H new ATOM 0 HD13 ILE A 33 -3.781 -8.099 -14.232 1.00 2.12 H new ATOM 515 N HIS A 34 -7.482 -6.836 -11.752 1.00 2.01 N ATOM 516 CA HIS A 34 -8.712 -6.591 -10.950 1.00 2.53 C ATOM 517 C HIS A 34 -8.317 -5.726 -9.751 1.00 2.00 C ATOM 518 O HIS A 34 -8.981 -4.765 -9.413 1.00 2.27 O ATOM 519 CB HIS A 34 -9.305 -7.929 -10.476 1.00 3.47 C ATOM 520 CG HIS A 34 -8.291 -8.691 -9.665 1.00 3.78 C ATOM 521 ND1 HIS A 34 -7.078 -9.100 -10.193 1.00 4.19 N ATOM 522 CD2 HIS A 34 -8.295 -9.118 -8.361 1.00 4.66 C ATOM 523 CE1 HIS A 34 -6.409 -9.740 -9.221 1.00 4.89 C ATOM 524 NE2 HIS A 34 -7.105 -9.781 -8.082 1.00 5.23 N ATOM 0 H HIS A 34 -6.615 -6.557 -11.292 1.00 2.01 H new ATOM 0 HA HIS A 34 -9.468 -6.083 -11.548 1.00 2.53 H new ATOM 0 HB2 HIS A 34 -10.198 -7.747 -9.877 1.00 3.47 H new ATOM 0 HB3 HIS A 34 -9.614 -8.523 -11.336 1.00 3.47 H new ATOM 0 HD2 HIS A 34 -9.100 -8.963 -7.658 1.00 4.66 H new ATOM 0 HE1 HIS A 34 -5.426 -10.170 -9.345 1.00 4.89 H new ATOM 0 HE2 HIS A 34 -6.824 -10.207 -7.199 1.00 5.23 H new ATOM 532 N LYS A 35 -7.210 -6.053 -9.132 1.00 1.69 N ATOM 533 CA LYS A 35 -6.713 -5.255 -7.978 1.00 1.30 C ATOM 534 C LYS A 35 -5.260 -4.829 -8.249 1.00 1.08 C ATOM 535 O LYS A 35 -4.538 -4.457 -7.344 1.00 1.13 O ATOM 536 CB LYS A 35 -6.758 -6.110 -6.710 1.00 1.55 C ATOM 537 CG LYS A 35 -8.211 -6.301 -6.271 1.00 1.83 C ATOM 538 CD LYS A 35 -8.273 -7.323 -5.131 1.00 2.22 C ATOM 539 CE LYS A 35 -9.321 -6.886 -4.104 1.00 3.20 C ATOM 540 NZ LYS A 35 -8.657 -6.133 -3.001 1.00 4.41 N ATOM 0 H LYS A 35 -6.625 -6.850 -9.383 1.00 1.69 H new ATOM 0 HA LYS A 35 -7.340 -4.373 -7.846 1.00 1.30 H new ATOM 0 HB2 LYS A 35 -6.293 -7.078 -6.896 1.00 1.55 H new ATOM 0 HB3 LYS A 35 -6.187 -5.630 -5.915 1.00 1.55 H new ATOM 0 HG2 LYS A 35 -8.631 -5.350 -5.943 1.00 1.83 H new ATOM 0 HG3 LYS A 35 -8.814 -6.643 -7.112 1.00 1.83 H new ATOM 0 HD2 LYS A 35 -8.524 -8.308 -5.525 1.00 2.22 H new ATOM 0 HD3 LYS A 35 -7.297 -7.410 -4.654 1.00 2.22 H new ATOM 0 HE2 LYS A 35 -10.075 -6.261 -4.582 1.00 3.20 H new ATOM 0 HE3 LYS A 35 -9.838 -7.758 -3.703 1.00 3.20 H new ATOM 0 HZ1 LYS A 35 -9.215 -6.230 -2.129 1.00 4.41 H new ATOM 0 HZ2 LYS A 35 -7.702 -6.515 -2.845 1.00 4.41 H new ATOM 0 HZ3 LYS A 35 -8.590 -5.128 -3.258 1.00 4.41 H new ATOM 554 N TYR A 36 -4.827 -4.883 -9.492 1.00 0.95 N ATOM 555 CA TYR A 36 -3.430 -4.488 -9.829 1.00 0.83 C ATOM 556 C TYR A 36 -3.273 -2.980 -9.632 1.00 0.72 C ATOM 557 O TYR A 36 -2.293 -2.517 -9.080 1.00 0.74 O ATOM 558 CB TYR A 36 -3.148 -4.859 -11.289 1.00 0.84 C ATOM 559 CG TYR A 36 -1.670 -4.741 -11.578 1.00 1.04 C ATOM 560 CD1 TYR A 36 -1.070 -3.479 -11.649 1.00 1.70 C ATOM 561 CD2 TYR A 36 -0.904 -5.894 -11.784 1.00 2.40 C ATOM 562 CE1 TYR A 36 0.299 -3.371 -11.923 1.00 1.78 C ATOM 563 CE2 TYR A 36 0.465 -5.786 -12.057 1.00 2.73 C ATOM 564 CZ TYR A 36 1.067 -4.524 -12.127 1.00 1.74 C ATOM 565 OH TYR A 36 2.416 -4.416 -12.397 1.00 2.13 O ATOM 0 H TYR A 36 -5.390 -5.186 -10.286 1.00 0.95 H new ATOM 0 HA TYR A 36 -2.724 -5.008 -9.181 1.00 0.83 H new ATOM 0 HB2 TYR A 36 -3.485 -5.877 -11.485 1.00 0.84 H new ATOM 0 HB3 TYR A 36 -3.710 -4.203 -11.954 1.00 0.84 H new ATOM 0 HD1 TYR A 36 -1.662 -2.589 -11.493 1.00 1.70 H new ATOM 0 HD2 TYR A 36 -1.369 -6.867 -11.732 1.00 2.40 H new ATOM 0 HE1 TYR A 36 0.763 -2.397 -11.977 1.00 1.78 H new ATOM 0 HE2 TYR A 36 1.056 -6.676 -12.214 1.00 2.73 H new ATOM 0 HH TYR A 36 2.922 -4.959 -11.757 1.00 2.13 H new ATOM 575 N ASN A 37 -4.240 -2.215 -10.070 1.00 0.68 N ATOM 576 CA ASN A 37 -4.165 -0.733 -9.900 1.00 0.64 C ATOM 577 C ASN A 37 -4.398 -0.357 -8.425 1.00 0.57 C ATOM 578 O ASN A 37 -4.234 0.787 -8.042 1.00 0.58 O ATOM 579 CB ASN A 37 -5.236 -0.070 -10.772 1.00 0.76 C ATOM 580 CG ASN A 37 -4.732 1.292 -11.254 1.00 1.82 C ATOM 581 OD1 ASN A 37 -3.611 1.412 -11.708 1.00 2.95 O ATOM 582 ND2 ASN A 37 -5.517 2.331 -11.173 1.00 2.86 N ATOM 0 H ASN A 37 -5.080 -2.554 -10.539 1.00 0.68 H new ATOM 0 HA ASN A 37 -3.176 -0.387 -10.202 1.00 0.64 H new ATOM 0 HB2 ASN A 37 -5.470 -0.706 -11.626 1.00 0.76 H new ATOM 0 HB3 ASN A 37 -6.158 0.052 -10.204 1.00 0.76 H new ATOM 0 HD21 ASN A 37 -5.190 3.243 -11.491 1.00 2.86 H new ATOM 0 HD22 ASN A 37 -6.458 2.231 -10.792 1.00 2.86 H new ATOM 589 N ALA A 38 -4.781 -1.304 -7.596 1.00 0.65 N ATOM 590 CA ALA A 38 -5.025 -0.999 -6.155 1.00 0.64 C ATOM 591 C ALA A 38 -3.688 -0.866 -5.418 1.00 0.59 C ATOM 592 O ALA A 38 -3.498 0.028 -4.617 1.00 0.56 O ATOM 593 CB ALA A 38 -5.831 -2.141 -5.535 1.00 0.69 C ATOM 0 H ALA A 38 -4.934 -2.277 -7.861 1.00 0.65 H new ATOM 0 HA ALA A 38 -5.576 -0.063 -6.070 1.00 0.64 H new ATOM 0 HB1 ALA A 38 -6.014 -1.927 -4.482 1.00 0.69 H new ATOM 0 HB2 ALA A 38 -6.783 -2.239 -6.056 1.00 0.69 H new ATOM 0 HB3 ALA A 38 -5.271 -3.072 -5.624 1.00 0.69 H new ATOM 599 N TYR A 39 -2.767 -1.756 -5.682 1.00 0.65 N ATOM 600 CA TYR A 39 -1.432 -1.698 -4.999 1.00 0.66 C ATOM 601 C TYR A 39 -0.530 -0.708 -5.737 1.00 0.65 C ATOM 602 O TYR A 39 0.396 -0.161 -5.171 1.00 0.64 O ATOM 603 CB TYR A 39 -0.753 -3.082 -5.003 1.00 0.74 C ATOM 604 CG TYR A 39 -1.787 -4.182 -4.934 1.00 0.80 C ATOM 605 CD1 TYR A 39 -2.640 -4.269 -3.831 1.00 1.76 C ATOM 606 CD2 TYR A 39 -1.899 -5.100 -5.981 1.00 1.63 C ATOM 607 CE1 TYR A 39 -3.608 -5.276 -3.774 1.00 1.83 C ATOM 608 CE2 TYR A 39 -2.864 -6.109 -5.927 1.00 1.64 C ATOM 609 CZ TYR A 39 -3.721 -6.199 -4.822 1.00 0.95 C ATOM 610 OH TYR A 39 -4.676 -7.193 -4.768 1.00 1.05 O ATOM 0 H TYR A 39 -2.879 -2.525 -6.343 1.00 0.65 H new ATOM 0 HA TYR A 39 -1.586 -1.381 -3.968 1.00 0.66 H new ATOM 0 HB2 TYR A 39 -0.153 -3.196 -5.906 1.00 0.74 H new ATOM 0 HB3 TYR A 39 -0.072 -3.162 -4.155 1.00 0.74 H new ATOM 0 HD1 TYR A 39 -2.552 -3.558 -3.023 1.00 1.76 H new ATOM 0 HD2 TYR A 39 -1.239 -5.030 -6.833 1.00 1.63 H new ATOM 0 HE1 TYR A 39 -4.269 -5.342 -2.922 1.00 1.83 H new ATOM 0 HE2 TYR A 39 -2.949 -6.819 -6.736 1.00 1.64 H new ATOM 0 HH TYR A 39 -4.619 -7.746 -5.575 1.00 1.05 H new ATOM 620 N ARG A 40 -0.788 -0.486 -6.999 1.00 0.70 N ATOM 621 CA ARG A 40 0.048 0.458 -7.788 1.00 0.73 C ATOM 622 C ARG A 40 -0.278 1.898 -7.378 1.00 0.66 C ATOM 623 O ARG A 40 0.604 2.720 -7.209 1.00 0.66 O ATOM 624 CB ARG A 40 -0.263 0.256 -9.272 1.00 0.87 C ATOM 625 CG ARG A 40 0.656 1.140 -10.127 1.00 0.86 C ATOM 626 CD ARG A 40 1.781 0.294 -10.739 1.00 1.36 C ATOM 627 NE ARG A 40 1.932 0.622 -12.201 1.00 2.26 N ATOM 628 CZ ARG A 40 0.917 0.587 -13.039 1.00 3.46 C ATOM 629 NH1 ARG A 40 -0.239 0.070 -12.696 1.00 4.51 N ATOM 630 NH2 ARG A 40 1.084 1.018 -14.259 1.00 4.42 N ATOM 0 H ARG A 40 -1.549 -0.923 -7.519 1.00 0.70 H new ATOM 0 HA ARG A 40 1.106 0.271 -7.602 1.00 0.73 H new ATOM 0 HB2 ARG A 40 -0.127 -0.791 -9.541 1.00 0.87 H new ATOM 0 HB3 ARG A 40 -1.306 0.503 -9.470 1.00 0.87 H new ATOM 0 HG2 ARG A 40 0.079 1.619 -10.918 1.00 0.86 H new ATOM 0 HG3 ARG A 40 1.081 1.936 -9.515 1.00 0.86 H new ATOM 0 HD2 ARG A 40 2.718 0.486 -10.216 1.00 1.36 H new ATOM 0 HD3 ARG A 40 1.559 -0.766 -10.616 1.00 1.36 H new ATOM 0 HE ARG A 40 2.853 0.880 -12.555 1.00 2.26 H new ATOM 0 HH11 ARG A 40 -0.367 -0.317 -11.761 1.00 4.51 H new ATOM 0 HH12 ARG A 40 -1.009 0.055 -13.364 1.00 4.51 H new ATOM 0 HH21 ARG A 40 1.992 1.376 -14.553 1.00 4.42 H new ATOM 0 HH22 ARG A 40 0.306 0.997 -14.918 1.00 4.42 H new ATOM 644 N LYS A 41 -1.540 2.204 -7.215 1.00 0.68 N ATOM 645 CA LYS A 41 -1.940 3.586 -6.819 1.00 0.69 C ATOM 646 C LYS A 41 -1.736 3.777 -5.313 1.00 0.59 C ATOM 647 O LYS A 41 -1.138 4.745 -4.876 1.00 0.59 O ATOM 648 CB LYS A 41 -3.416 3.801 -7.162 1.00 0.83 C ATOM 649 CG LYS A 41 -3.725 5.298 -7.185 1.00 1.26 C ATOM 650 CD LYS A 41 -5.196 5.519 -6.827 1.00 2.05 C ATOM 651 CE LYS A 41 -6.035 5.536 -8.106 1.00 2.47 C ATOM 652 NZ LYS A 41 -6.002 6.900 -8.704 1.00 2.79 N ATOM 0 H LYS A 41 -2.314 1.551 -7.340 1.00 0.68 H new ATOM 0 HA LYS A 41 -1.325 4.307 -7.358 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -3.643 3.358 -8.132 1.00 0.83 H new ATOM 0 HB3 LYS A 41 -4.047 3.301 -6.428 1.00 0.83 H new ATOM 0 HG2 LYS A 41 -3.084 5.824 -6.477 1.00 1.26 H new ATOM 0 HG3 LYS A 41 -3.514 5.709 -8.172 1.00 1.26 H new ATOM 0 HD2 LYS A 41 -5.543 4.727 -6.163 1.00 2.05 H new ATOM 0 HD3 LYS A 41 -5.313 6.460 -6.290 1.00 2.05 H new ATOM 0 HE2 LYS A 41 -5.648 4.806 -8.817 1.00 2.47 H new ATOM 0 HE3 LYS A 41 -7.063 5.250 -7.883 1.00 2.47 H new ATOM 0 HZ1 LYS A 41 -6.572 6.912 -9.574 1.00 2.79 H new ATOM 0 HZ2 LYS A 41 -6.391 7.586 -8.026 1.00 2.79 H new ATOM 0 HZ3 LYS A 41 -5.020 7.156 -8.931 1.00 2.79 H new ATOM 666 N ALA A 42 -2.226 2.860 -4.512 1.00 0.59 N ATOM 667 CA ALA A 42 -2.064 2.986 -3.030 1.00 0.64 C ATOM 668 C ALA A 42 -0.577 3.083 -2.683 1.00 0.64 C ATOM 669 O ALA A 42 -0.166 3.912 -1.901 1.00 0.77 O ATOM 670 CB ALA A 42 -2.662 1.762 -2.335 1.00 0.72 C ATOM 0 H ALA A 42 -2.731 2.030 -4.822 1.00 0.59 H new ATOM 0 HA ALA A 42 -2.581 3.884 -2.692 1.00 0.64 H new ATOM 0 HB1 ALA A 42 -2.540 1.861 -1.256 1.00 0.72 H new ATOM 0 HB2 ALA A 42 -3.723 1.689 -2.576 1.00 0.72 H new ATOM 0 HB3 ALA A 42 -2.150 0.863 -2.677 1.00 0.72 H new ATOM 676 N ALA A 43 0.224 2.237 -3.268 1.00 0.72 N ATOM 677 CA ALA A 43 1.687 2.263 -2.988 1.00 0.81 C ATOM 678 C ALA A 43 2.297 3.560 -3.527 1.00 0.75 C ATOM 679 O ALA A 43 3.312 4.021 -3.039 1.00 0.77 O ATOM 680 CB ALA A 43 2.348 1.068 -3.670 1.00 0.99 C ATOM 0 H ALA A 43 -0.074 1.523 -3.933 1.00 0.72 H new ATOM 0 HA ALA A 43 1.851 2.212 -1.912 1.00 0.81 H new ATOM 0 HB1 ALA A 43 3.419 1.081 -3.469 1.00 0.99 H new ATOM 0 HB2 ALA A 43 1.917 0.144 -3.283 1.00 0.99 H new ATOM 0 HB3 ALA A 43 2.180 1.124 -4.746 1.00 0.99 H new ATOM 686 N SER A 44 1.694 4.146 -4.532 1.00 0.73 N ATOM 687 CA SER A 44 2.248 5.409 -5.104 1.00 0.75 C ATOM 688 C SER A 44 2.097 6.556 -4.096 1.00 0.60 C ATOM 689 O SER A 44 2.839 7.520 -4.136 1.00 0.60 O ATOM 690 CB SER A 44 1.505 5.753 -6.400 1.00 0.88 C ATOM 691 OG SER A 44 0.266 6.383 -6.094 1.00 2.29 O ATOM 0 H SER A 44 0.844 3.804 -4.979 1.00 0.73 H new ATOM 0 HA SER A 44 3.307 5.269 -5.320 1.00 0.75 H new ATOM 0 HB2 SER A 44 2.116 6.413 -7.016 1.00 0.88 H new ATOM 0 HB3 SER A 44 1.329 4.847 -6.980 1.00 0.88 H new ATOM 0 HG SER A 44 -0.420 5.700 -5.942 1.00 2.29 H new ATOM 697 N VAL A 45 1.140 6.468 -3.202 1.00 0.55 N ATOM 698 CA VAL A 45 0.946 7.570 -2.207 1.00 0.44 C ATOM 699 C VAL A 45 1.782 7.314 -0.939 1.00 0.34 C ATOM 700 O VAL A 45 2.138 8.249 -0.250 1.00 0.57 O ATOM 701 CB VAL A 45 -0.546 7.692 -1.846 1.00 0.52 C ATOM 702 CG1 VAL A 45 -1.047 6.387 -1.232 1.00 0.60 C ATOM 703 CG2 VAL A 45 -0.757 8.835 -0.842 1.00 0.48 C ATOM 0 H VAL A 45 0.490 5.687 -3.119 1.00 0.55 H new ATOM 0 HA VAL A 45 1.283 8.505 -2.654 1.00 0.44 H new ATOM 0 HB VAL A 45 -1.105 7.903 -2.758 1.00 0.52 H new ATOM 0 HG11 VAL A 45 -2.103 6.485 -0.981 1.00 0.60 H new ATOM 0 HG12 VAL A 45 -0.918 5.575 -1.948 1.00 0.60 H new ATOM 0 HG13 VAL A 45 -0.478 6.168 -0.329 1.00 0.60 H new ATOM 0 HG21 VAL A 45 -1.816 8.911 -0.595 1.00 0.48 H new ATOM 0 HG22 VAL A 45 -0.186 8.633 0.064 1.00 0.48 H new ATOM 0 HG23 VAL A 45 -0.419 9.773 -1.282 1.00 0.48 H new ATOM 713 N ILE A 46 2.097 6.073 -0.617 1.00 0.38 N ATOM 714 CA ILE A 46 2.904 5.817 0.626 1.00 0.55 C ATOM 715 C ILE A 46 4.386 6.079 0.358 1.00 0.52 C ATOM 716 O ILE A 46 5.065 6.698 1.154 1.00 0.74 O ATOM 717 CB ILE A 46 2.768 4.369 1.126 1.00 0.92 C ATOM 718 CG1 ILE A 46 1.346 3.828 0.914 1.00 0.79 C ATOM 719 CG2 ILE A 46 3.106 4.335 2.624 1.00 2.06 C ATOM 720 CD1 ILE A 46 0.329 4.737 1.601 1.00 1.46 C ATOM 0 H ILE A 46 1.836 5.244 -1.150 1.00 0.38 H new ATOM 0 HA ILE A 46 2.516 6.493 1.388 1.00 0.55 H new ATOM 0 HB ILE A 46 3.453 3.740 0.558 1.00 0.92 H new ATOM 0 HG12 ILE A 46 1.128 3.766 -0.152 1.00 0.79 H new ATOM 0 HG13 ILE A 46 1.270 2.817 1.314 1.00 0.79 H new ATOM 0 HG21 ILE A 46 3.014 3.314 2.995 1.00 2.06 H new ATOM 0 HG22 ILE A 46 4.127 4.685 2.775 1.00 2.06 H new ATOM 0 HG23 ILE A 46 2.417 4.981 3.167 1.00 2.06 H new ATOM 0 HD11 ILE A 46 -0.675 4.343 1.444 1.00 1.46 H new ATOM 0 HD12 ILE A 46 0.540 4.777 2.670 1.00 1.46 H new ATOM 0 HD13 ILE A 46 0.395 5.740 1.180 1.00 1.46 H new ATOM 732 N ALA A 47 4.899 5.596 -0.749 1.00 0.43 N ATOM 733 CA ALA A 47 6.347 5.797 -1.069 1.00 0.50 C ATOM 734 C ALA A 47 6.708 7.284 -0.961 1.00 0.55 C ATOM 735 O ALA A 47 7.712 7.642 -0.375 1.00 0.67 O ATOM 736 CB ALA A 47 6.623 5.286 -2.478 1.00 0.58 C ATOM 0 H ALA A 47 4.374 5.069 -1.447 1.00 0.43 H new ATOM 0 HA ALA A 47 6.959 5.242 -0.358 1.00 0.50 H new ATOM 0 HB1 ALA A 47 7.677 5.430 -2.717 1.00 0.58 H new ATOM 0 HB2 ALA A 47 6.379 4.225 -2.534 1.00 0.58 H new ATOM 0 HB3 ALA A 47 6.011 5.837 -3.191 1.00 0.58 H new ATOM 742 N LYS A 48 5.870 8.151 -1.477 1.00 0.54 N ATOM 743 CA LYS A 48 6.142 9.614 -1.349 1.00 0.67 C ATOM 744 C LYS A 48 5.973 9.966 0.132 1.00 0.69 C ATOM 745 O LYS A 48 6.708 10.754 0.693 1.00 0.82 O ATOM 746 CB LYS A 48 5.144 10.404 -2.199 1.00 0.73 C ATOM 747 CG LYS A 48 5.564 10.334 -3.670 1.00 1.70 C ATOM 748 CD LYS A 48 4.594 11.157 -4.521 1.00 2.11 C ATOM 749 CE LYS A 48 4.606 10.636 -5.959 1.00 3.44 C ATOM 750 NZ LYS A 48 5.635 11.372 -6.746 1.00 3.72 N ATOM 0 H LYS A 48 5.015 7.909 -1.978 1.00 0.54 H new ATOM 0 HA LYS A 48 7.145 9.862 -1.695 1.00 0.67 H new ATOM 0 HB2 LYS A 48 4.141 9.996 -2.076 1.00 0.73 H new ATOM 0 HB3 LYS A 48 5.109 11.442 -1.868 1.00 0.73 H new ATOM 0 HG2 LYS A 48 6.579 10.714 -3.787 1.00 1.70 H new ATOM 0 HG3 LYS A 48 5.571 9.298 -4.008 1.00 1.70 H new ATOM 0 HD2 LYS A 48 3.587 11.093 -4.108 1.00 2.11 H new ATOM 0 HD3 LYS A 48 4.880 12.209 -4.502 1.00 2.11 H new ATOM 0 HE2 LYS A 48 4.821 9.568 -5.968 1.00 3.44 H new ATOM 0 HE3 LYS A 48 3.624 10.767 -6.413 1.00 3.44 H new ATOM 0 HZ1 LYS A 48 5.643 11.018 -7.724 1.00 3.72 H new ATOM 0 HZ2 LYS A 48 5.410 12.387 -6.747 1.00 3.72 H new ATOM 0 HZ3 LYS A 48 6.571 11.225 -6.317 1.00 3.72 H new ATOM 764 N TYR A 49 5.026 9.324 0.771 1.00 0.65 N ATOM 765 CA TYR A 49 4.790 9.525 2.227 1.00 0.74 C ATOM 766 C TYR A 49 6.058 9.062 2.963 1.00 0.77 C ATOM 767 O TYR A 49 6.818 8.296 2.402 1.00 0.86 O ATOM 768 CB TYR A 49 3.607 8.602 2.628 1.00 0.98 C ATOM 769 CG TYR A 49 2.599 9.221 3.597 1.00 0.86 C ATOM 770 CD1 TYR A 49 2.606 10.582 3.908 1.00 2.30 C ATOM 771 CD2 TYR A 49 1.622 8.391 4.165 1.00 1.90 C ATOM 772 CE1 TYR A 49 1.651 11.113 4.780 1.00 2.53 C ATOM 773 CE2 TYR A 49 0.668 8.921 5.043 1.00 2.06 C ATOM 774 CZ TYR A 49 0.683 10.283 5.351 1.00 1.57 C ATOM 775 OH TYR A 49 -0.260 10.808 6.210 1.00 2.08 O ATOM 0 H TYR A 49 4.395 8.655 0.330 1.00 0.65 H new ATOM 0 HA TYR A 49 4.567 10.564 2.470 1.00 0.74 H new ATOM 0 HB2 TYR A 49 3.079 8.300 1.723 1.00 0.98 H new ATOM 0 HB3 TYR A 49 4.011 7.695 3.079 1.00 0.98 H new ATOM 0 HD1 TYR A 49 3.354 11.228 3.472 1.00 2.30 H new ATOM 0 HD2 TYR A 49 1.605 7.338 3.924 1.00 1.90 H new ATOM 0 HE1 TYR A 49 1.662 12.168 5.013 1.00 2.53 H new ATOM 0 HE2 TYR A 49 -0.079 8.276 5.482 1.00 2.06 H new ATOM 0 HH TYR A 49 -0.101 10.470 7.116 1.00 2.08 H new ATOM 785 N PRO A 50 6.253 9.473 4.205 1.00 0.82 N ATOM 786 CA PRO A 50 7.414 9.010 4.966 1.00 0.95 C ATOM 787 C PRO A 50 7.242 7.512 5.283 1.00 0.95 C ATOM 788 O PRO A 50 8.134 6.894 5.827 1.00 1.10 O ATOM 789 CB PRO A 50 7.412 9.850 6.252 1.00 1.14 C ATOM 790 CG PRO A 50 6.178 10.782 6.195 1.00 1.08 C ATOM 791 CD PRO A 50 5.378 10.405 4.940 1.00 0.92 C ATOM 0 HA PRO A 50 8.353 9.123 4.424 1.00 0.95 H new ATOM 0 HB2 PRO A 50 7.366 9.206 7.131 1.00 1.14 H new ATOM 0 HB3 PRO A 50 8.330 10.433 6.331 1.00 1.14 H new ATOM 0 HG2 PRO A 50 5.567 10.665 7.090 1.00 1.08 H new ATOM 0 HG3 PRO A 50 6.487 11.826 6.154 1.00 1.08 H new ATOM 0 HD2 PRO A 50 4.430 9.935 5.201 1.00 0.92 H new ATOM 0 HD3 PRO A 50 5.144 11.285 4.340 1.00 0.92 H new ATOM 799 N HIS A 51 6.089 6.924 4.955 1.00 0.90 N ATOM 800 CA HIS A 51 5.843 5.478 5.227 1.00 1.04 C ATOM 801 C HIS A 51 6.246 5.102 6.656 1.00 1.07 C ATOM 802 O HIS A 51 6.442 5.955 7.500 1.00 1.73 O ATOM 803 CB HIS A 51 6.569 4.594 4.189 1.00 1.56 C ATOM 804 CG HIS A 51 8.065 4.639 4.374 1.00 1.37 C ATOM 805 ND1 HIS A 51 8.862 5.569 3.725 1.00 1.97 N ATOM 806 CD2 HIS A 51 8.921 3.871 5.124 1.00 2.78 C ATOM 807 CE1 HIS A 51 10.135 5.339 4.092 1.00 2.60 C ATOM 808 NE2 HIS A 51 10.228 4.314 4.944 1.00 3.35 N ATOM 0 H HIS A 51 5.311 7.407 4.506 1.00 0.90 H new ATOM 0 HA HIS A 51 4.772 5.297 5.133 1.00 1.04 H new ATOM 0 HB2 HIS A 51 6.221 3.565 4.279 1.00 1.56 H new ATOM 0 HB3 HIS A 51 6.316 4.929 3.183 1.00 1.56 H new ATOM 0 HD2 HIS A 51 8.625 3.048 5.758 1.00 2.78 H new ATOM 0 HE1 HIS A 51 10.980 5.913 3.741 1.00 2.60 H new ATOM 0 HE2 HIS A 51 11.074 3.937 5.371 1.00 3.35 H new ATOM 816 N LYS A 52 6.345 3.824 6.931 1.00 1.05 N ATOM 817 CA LYS A 52 6.703 3.347 8.302 1.00 1.40 C ATOM 818 C LYS A 52 5.842 4.068 9.352 1.00 1.57 C ATOM 819 O LYS A 52 6.241 5.079 9.898 1.00 2.45 O ATOM 820 CB LYS A 52 8.181 3.621 8.579 1.00 1.86 C ATOM 821 CG LYS A 52 8.610 2.879 9.852 1.00 2.29 C ATOM 822 CD LYS A 52 8.597 3.843 11.041 1.00 2.38 C ATOM 823 CE LYS A 52 9.378 3.232 12.207 1.00 3.30 C ATOM 824 NZ LYS A 52 8.684 3.547 13.487 1.00 3.99 N ATOM 0 H LYS A 52 6.190 3.080 6.251 1.00 1.05 H new ATOM 0 HA LYS A 52 6.517 2.275 8.361 1.00 1.40 H new ATOM 0 HB2 LYS A 52 8.787 3.295 7.734 1.00 1.86 H new ATOM 0 HB3 LYS A 52 8.347 4.692 8.696 1.00 1.86 H new ATOM 0 HG2 LYS A 52 7.936 2.043 10.042 1.00 2.29 H new ATOM 0 HG3 LYS A 52 9.608 2.461 9.722 1.00 2.29 H new ATOM 0 HD2 LYS A 52 9.040 4.797 10.754 1.00 2.38 H new ATOM 0 HD3 LYS A 52 7.570 4.047 11.345 1.00 2.38 H new ATOM 0 HE2 LYS A 52 9.457 2.152 12.080 1.00 3.30 H new ATOM 0 HE3 LYS A 52 10.394 3.626 12.225 1.00 3.30 H new ATOM 0 HZ1 LYS A 52 9.214 3.132 14.280 1.00 3.99 H new ATOM 0 HZ2 LYS A 52 8.630 4.579 13.608 1.00 3.99 H new ATOM 0 HZ3 LYS A 52 7.723 3.150 13.468 1.00 3.99 H new ATOM 838 N ILE A 53 4.665 3.566 9.618 1.00 1.43 N ATOM 839 CA ILE A 53 3.775 4.232 10.615 1.00 1.73 C ATOM 840 C ILE A 53 3.407 3.240 11.724 1.00 1.82 C ATOM 841 O ILE A 53 3.436 2.040 11.526 1.00 1.95 O ATOM 842 CB ILE A 53 2.501 4.725 9.915 1.00 1.79 C ATOM 843 CG1 ILE A 53 1.796 3.544 9.239 1.00 1.88 C ATOM 844 CG2 ILE A 53 2.864 5.773 8.856 1.00 2.16 C ATOM 845 CD1 ILE A 53 0.461 4.008 8.654 1.00 2.13 C ATOM 0 H ILE A 53 4.281 2.724 9.188 1.00 1.43 H new ATOM 0 HA ILE A 53 4.297 5.082 11.055 1.00 1.73 H new ATOM 0 HB ILE A 53 1.837 5.172 10.655 1.00 1.79 H new ATOM 0 HG12 ILE A 53 2.427 3.134 8.450 1.00 1.88 H new ATOM 0 HG13 ILE A 53 1.630 2.745 9.962 1.00 1.88 H new ATOM 0 HG21 ILE A 53 1.957 6.120 8.362 1.00 2.16 H new ATOM 0 HG22 ILE A 53 3.362 6.616 9.334 1.00 2.16 H new ATOM 0 HG23 ILE A 53 3.532 5.328 8.118 1.00 2.16 H new ATOM 0 HD11 ILE A 53 -0.038 3.166 8.174 1.00 2.13 H new ATOM 0 HD12 ILE A 53 -0.171 4.397 9.453 1.00 2.13 H new ATOM 0 HD13 ILE A 53 0.639 4.792 7.918 1.00 2.13 H new ATOM 857 N LYS A 54 3.063 3.735 12.886 1.00 1.94 N ATOM 858 CA LYS A 54 2.690 2.827 14.012 1.00 2.12 C ATOM 859 C LYS A 54 1.287 2.266 13.774 1.00 2.16 C ATOM 860 O LYS A 54 1.105 1.071 13.627 1.00 2.72 O ATOM 861 CB LYS A 54 2.709 3.607 15.329 1.00 2.35 C ATOM 862 CG LYS A 54 4.058 4.308 15.493 1.00 2.99 C ATOM 863 CD LYS A 54 4.070 5.094 16.806 1.00 3.33 C ATOM 864 CE LYS A 54 4.954 6.332 16.651 1.00 4.32 C ATOM 865 NZ LYS A 54 4.125 7.479 16.182 1.00 4.77 N ATOM 0 H LYS A 54 3.024 4.731 13.103 1.00 1.94 H new ATOM 0 HA LYS A 54 3.406 2.007 14.066 1.00 2.12 H new ATOM 0 HB2 LYS A 54 1.903 4.341 15.340 1.00 2.35 H new ATOM 0 HB3 LYS A 54 2.536 2.931 16.166 1.00 2.35 H new ATOM 0 HG2 LYS A 54 4.864 3.574 15.489 1.00 2.99 H new ATOM 0 HG3 LYS A 54 4.235 4.980 14.653 1.00 2.99 H new ATOM 0 HD2 LYS A 54 3.056 5.390 17.075 1.00 3.33 H new ATOM 0 HD3 LYS A 54 4.444 4.466 17.615 1.00 3.33 H new ATOM 0 HE2 LYS A 54 5.427 6.576 17.602 1.00 4.32 H new ATOM 0 HE3 LYS A 54 5.755 6.133 15.939 1.00 4.32 H new ATOM 0 HZ1 LYS A 54 4.726 8.321 16.076 1.00 4.77 H new ATOM 0 HZ2 LYS A 54 3.694 7.244 15.265 1.00 4.77 H new ATOM 0 HZ3 LYS A 54 3.376 7.673 16.877 1.00 4.77 H new ATOM 879 N SER A 55 0.296 3.120 13.736 1.00 2.01 N ATOM 880 CA SER A 55 -1.100 2.645 13.509 1.00 2.14 C ATOM 881 C SER A 55 -1.368 2.540 12.005 1.00 1.98 C ATOM 882 O SER A 55 -0.491 2.770 11.194 1.00 2.75 O ATOM 883 CB SER A 55 -2.082 3.636 14.136 1.00 2.40 C ATOM 884 OG SER A 55 -3.336 2.995 14.332 1.00 3.32 O ATOM 0 H SER A 55 0.395 4.128 13.853 1.00 2.01 H new ATOM 0 HA SER A 55 -1.230 1.665 13.968 1.00 2.14 H new ATOM 0 HB2 SER A 55 -1.693 3.998 15.088 1.00 2.40 H new ATOM 0 HB3 SER A 55 -2.202 4.505 13.489 1.00 2.40 H new ATOM 0 HG SER A 55 -3.967 3.627 14.735 1.00 3.32 H new ATOM 890 N GLY A 56 -2.574 2.192 11.632 1.00 1.77 N ATOM 891 CA GLY A 56 -2.909 2.067 10.181 1.00 1.76 C ATOM 892 C GLY A 56 -3.973 3.102 9.808 1.00 1.48 C ATOM 893 O GLY A 56 -4.766 2.891 8.910 1.00 1.47 O ATOM 0 H GLY A 56 -3.342 1.989 12.271 1.00 1.77 H new ATOM 0 HA2 GLY A 56 -2.014 2.217 9.577 1.00 1.76 H new ATOM 0 HA3 GLY A 56 -3.274 1.062 9.967 1.00 1.76 H new ATOM 897 N ALA A 57 -3.992 4.217 10.492 1.00 1.57 N ATOM 898 CA ALA A 57 -5.002 5.273 10.187 1.00 1.46 C ATOM 899 C ALA A 57 -4.440 6.234 9.137 1.00 1.16 C ATOM 900 O ALA A 57 -5.176 6.823 8.367 1.00 1.13 O ATOM 901 CB ALA A 57 -5.329 6.048 11.464 1.00 1.71 C ATOM 0 H ALA A 57 -3.349 4.442 11.251 1.00 1.57 H new ATOM 0 HA ALA A 57 -5.908 4.806 9.801 1.00 1.46 H new ATOM 0 HB1 ALA A 57 -6.066 6.820 11.243 1.00 1.71 H new ATOM 0 HB2 ALA A 57 -5.732 5.364 12.211 1.00 1.71 H new ATOM 0 HB3 ALA A 57 -4.422 6.513 11.850 1.00 1.71 H new ATOM 907 N GLU A 58 -3.139 6.398 9.099 1.00 1.06 N ATOM 908 CA GLU A 58 -2.521 7.323 8.100 1.00 0.86 C ATOM 909 C GLU A 58 -2.887 6.876 6.681 1.00 0.70 C ATOM 910 O GLU A 58 -2.944 7.676 5.769 1.00 0.69 O ATOM 911 CB GLU A 58 -0.999 7.310 8.265 1.00 1.03 C ATOM 912 CG GLU A 58 -0.633 7.798 9.670 1.00 1.59 C ATOM 913 CD GLU A 58 0.686 8.572 9.618 1.00 2.32 C ATOM 914 OE1 GLU A 58 0.853 9.359 8.701 1.00 3.24 O ATOM 915 OE2 GLU A 58 1.506 8.365 10.498 1.00 3.11 O ATOM 0 H GLU A 58 -2.478 5.929 9.719 1.00 1.06 H new ATOM 0 HA GLU A 58 -2.897 8.333 8.265 1.00 0.86 H new ATOM 0 HB2 GLU A 58 -0.614 6.303 8.107 1.00 1.03 H new ATOM 0 HB3 GLU A 58 -0.536 7.950 7.514 1.00 1.03 H new ATOM 0 HG2 GLU A 58 -1.425 8.436 10.062 1.00 1.59 H new ATOM 0 HG3 GLU A 58 -0.542 6.950 10.348 1.00 1.59 H new ATOM 922 N ALA A 59 -3.143 5.604 6.493 1.00 0.68 N ATOM 923 CA ALA A 59 -3.512 5.102 5.136 1.00 0.66 C ATOM 924 C ALA A 59 -4.876 5.670 4.744 1.00 0.69 C ATOM 925 O ALA A 59 -5.103 6.029 3.603 1.00 0.78 O ATOM 926 CB ALA A 59 -3.580 3.575 5.158 1.00 0.84 C ATOM 0 H ALA A 59 -3.112 4.892 7.223 1.00 0.68 H new ATOM 0 HA ALA A 59 -2.762 5.419 4.411 1.00 0.66 H new ATOM 0 HB1 ALA A 59 -3.849 3.208 4.167 1.00 0.84 H new ATOM 0 HB2 ALA A 59 -2.608 3.172 5.442 1.00 0.84 H new ATOM 0 HB3 ALA A 59 -4.331 3.255 5.880 1.00 0.84 H new ATOM 932 N LYS A 60 -5.786 5.761 5.684 1.00 0.80 N ATOM 933 CA LYS A 60 -7.138 6.315 5.374 1.00 0.95 C ATOM 934 C LYS A 60 -6.985 7.775 4.941 1.00 0.91 C ATOM 935 O LYS A 60 -7.705 8.260 4.089 1.00 1.05 O ATOM 936 CB LYS A 60 -8.027 6.236 6.619 1.00 1.16 C ATOM 937 CG LYS A 60 -8.315 4.767 6.953 1.00 2.07 C ATOM 938 CD LYS A 60 -9.765 4.622 7.428 1.00 2.01 C ATOM 939 CE LYS A 60 -10.024 3.185 7.894 1.00 3.12 C ATOM 940 NZ LYS A 60 -11.093 2.575 7.052 1.00 3.54 N ATOM 0 H LYS A 60 -5.649 5.475 6.653 1.00 0.80 H new ATOM 0 HA LYS A 60 -7.600 5.738 4.573 1.00 0.95 H new ATOM 0 HB2 LYS A 60 -7.534 6.721 7.462 1.00 1.16 H new ATOM 0 HB3 LYS A 60 -8.961 6.770 6.446 1.00 1.16 H new ATOM 0 HG2 LYS A 60 -8.145 4.144 6.075 1.00 2.07 H new ATOM 0 HG3 LYS A 60 -7.632 4.419 7.727 1.00 2.07 H new ATOM 0 HD2 LYS A 60 -9.960 5.318 8.244 1.00 2.01 H new ATOM 0 HD3 LYS A 60 -10.449 4.879 6.619 1.00 2.01 H new ATOM 0 HE2 LYS A 60 -9.109 2.597 7.821 1.00 3.12 H new ATOM 0 HE3 LYS A 60 -10.324 3.180 8.942 1.00 3.12 H new ATOM 0 HZ1 LYS A 60 -11.630 1.887 7.617 1.00 3.54 H new ATOM 0 HZ2 LYS A 60 -11.735 3.320 6.712 1.00 3.54 H new ATOM 0 HZ3 LYS A 60 -10.661 2.093 6.238 1.00 3.54 H new ATOM 954 N LYS A 61 -6.038 8.468 5.519 1.00 0.85 N ATOM 955 CA LYS A 61 -5.804 9.892 5.146 1.00 0.96 C ATOM 956 C LYS A 61 -5.319 9.943 3.693 1.00 0.83 C ATOM 957 O LYS A 61 -5.744 10.774 2.916 1.00 0.97 O ATOM 958 CB LYS A 61 -4.735 10.486 6.088 1.00 1.14 C ATOM 959 CG LYS A 61 -4.207 11.830 5.553 1.00 1.38 C ATOM 960 CD LYS A 61 -3.492 12.596 6.675 1.00 1.63 C ATOM 961 CE LYS A 61 -2.123 13.075 6.182 1.00 2.09 C ATOM 962 NZ LYS A 61 -1.198 13.213 7.342 1.00 2.84 N ATOM 0 H LYS A 61 -5.413 8.104 6.238 1.00 0.85 H new ATOM 0 HA LYS A 61 -6.722 10.471 5.240 1.00 0.96 H new ATOM 0 HB2 LYS A 61 -5.161 10.629 7.081 1.00 1.14 H new ATOM 0 HB3 LYS A 61 -3.908 9.783 6.193 1.00 1.14 H new ATOM 0 HG2 LYS A 61 -3.520 11.657 4.725 1.00 1.38 H new ATOM 0 HG3 LYS A 61 -5.033 12.426 5.163 1.00 1.38 H new ATOM 0 HD2 LYS A 61 -4.095 13.448 6.988 1.00 1.63 H new ATOM 0 HD3 LYS A 61 -3.371 11.954 7.547 1.00 1.63 H new ATOM 0 HE2 LYS A 61 -1.716 12.366 5.461 1.00 2.09 H new ATOM 0 HE3 LYS A 61 -2.224 14.031 5.668 1.00 2.09 H new ATOM 0 HZ1 LYS A 61 -0.678 14.111 7.267 1.00 2.84 H new ATOM 0 HZ2 LYS A 61 -1.746 13.203 8.226 1.00 2.84 H new ATOM 0 HZ3 LYS A 61 -0.523 12.422 7.344 1.00 2.84 H new ATOM 976 N LEU A 62 -4.424 9.062 3.338 1.00 0.73 N ATOM 977 CA LEU A 62 -3.882 9.045 1.949 1.00 0.78 C ATOM 978 C LEU A 62 -5.018 8.704 0.957 1.00 1.05 C ATOM 979 O LEU A 62 -5.517 7.597 0.982 1.00 1.35 O ATOM 980 CB LEU A 62 -2.783 7.980 1.858 1.00 0.83 C ATOM 981 CG LEU A 62 -1.708 8.249 2.924 1.00 0.88 C ATOM 982 CD1 LEU A 62 -0.879 6.980 3.145 1.00 1.07 C ATOM 983 CD2 LEU A 62 -0.788 9.392 2.470 1.00 1.01 C ATOM 0 H LEU A 62 -4.042 8.347 3.956 1.00 0.73 H new ATOM 0 HA LEU A 62 -3.470 10.023 1.700 1.00 0.78 H new ATOM 0 HB2 LEU A 62 -3.212 6.988 2.003 1.00 0.83 H new ATOM 0 HB3 LEU A 62 -2.334 7.991 0.865 1.00 0.83 H new ATOM 0 HG LEU A 62 -2.195 8.535 3.856 1.00 0.88 H new ATOM 0 HD11 LEU A 62 -0.117 7.170 3.901 1.00 1.07 H new ATOM 0 HD12 LEU A 62 -1.531 6.174 3.482 1.00 1.07 H new ATOM 0 HD13 LEU A 62 -0.399 6.692 2.210 1.00 1.07 H new ATOM 0 HD21 LEU A 62 -0.031 9.574 3.232 1.00 1.01 H new ATOM 0 HD22 LEU A 62 -0.302 9.118 1.534 1.00 1.01 H new ATOM 0 HD23 LEU A 62 -1.378 10.297 2.321 1.00 1.01 H new ATOM 995 N PRO A 63 -5.412 9.648 0.107 1.00 1.20 N ATOM 996 CA PRO A 63 -6.492 9.394 -0.868 1.00 1.56 C ATOM 997 C PRO A 63 -6.066 8.304 -1.856 1.00 1.63 C ATOM 998 O PRO A 63 -6.887 7.577 -2.384 1.00 2.96 O ATOM 999 CB PRO A 63 -6.697 10.731 -1.597 1.00 1.82 C ATOM 1000 CG PRO A 63 -5.654 11.734 -1.047 1.00 1.77 C ATOM 1001 CD PRO A 63 -4.838 11.014 0.037 1.00 1.32 C ATOM 0 HA PRO A 63 -7.408 9.049 -0.388 1.00 1.56 H new ATOM 0 HB2 PRO A 63 -6.574 10.603 -2.672 1.00 1.82 H new ATOM 0 HB3 PRO A 63 -7.708 11.104 -1.434 1.00 1.82 H new ATOM 0 HG2 PRO A 63 -5.002 12.084 -1.847 1.00 1.77 H new ATOM 0 HG3 PRO A 63 -6.150 12.612 -0.632 1.00 1.77 H new ATOM 0 HD2 PRO A 63 -3.779 10.984 -0.221 1.00 1.32 H new ATOM 0 HD3 PRO A 63 -4.918 11.525 0.996 1.00 1.32 H new ATOM 1009 N GLY A 64 -4.786 8.190 -2.111 1.00 1.73 N ATOM 1010 CA GLY A 64 -4.291 7.152 -3.065 1.00 2.11 C ATOM 1011 C GLY A 64 -4.682 5.757 -2.569 1.00 1.69 C ATOM 1012 O GLY A 64 -4.855 4.841 -3.350 1.00 1.84 O ATOM 0 H GLY A 64 -4.060 8.775 -1.697 1.00 1.73 H new ATOM 0 HA2 GLY A 64 -4.712 7.326 -4.055 1.00 2.11 H new ATOM 0 HA3 GLY A 64 -3.208 7.222 -3.162 1.00 2.11 H new ATOM 1016 N VAL A 65 -4.822 5.592 -1.277 1.00 1.42 N ATOM 1017 CA VAL A 65 -5.202 4.254 -0.725 1.00 1.35 C ATOM 1018 C VAL A 65 -6.633 4.330 -0.189 1.00 1.49 C ATOM 1019 O VAL A 65 -6.891 4.953 0.824 1.00 2.11 O ATOM 1020 CB VAL A 65 -4.256 3.838 0.421 1.00 1.55 C ATOM 1021 CG1 VAL A 65 -4.215 2.310 0.506 1.00 1.74 C ATOM 1022 CG2 VAL A 65 -2.834 4.356 0.166 1.00 1.88 C ATOM 0 H VAL A 65 -4.690 6.325 -0.581 1.00 1.42 H new ATOM 0 HA VAL A 65 -5.127 3.513 -1.521 1.00 1.35 H new ATOM 0 HB VAL A 65 -4.628 4.265 1.353 1.00 1.55 H new ATOM 0 HG11 VAL A 65 -3.548 2.008 1.314 1.00 1.74 H new ATOM 0 HG12 VAL A 65 -5.218 1.929 0.702 1.00 1.74 H new ATOM 0 HG13 VAL A 65 -3.850 1.903 -0.437 1.00 1.74 H new ATOM 0 HG21 VAL A 65 -2.183 4.052 0.986 1.00 1.88 H new ATOM 0 HG22 VAL A 65 -2.458 3.941 -0.769 1.00 1.88 H new ATOM 0 HG23 VAL A 65 -2.849 5.444 0.100 1.00 1.88 H new ATOM 1032 N GLY A 66 -7.563 3.701 -0.862 1.00 1.63 N ATOM 1033 CA GLY A 66 -8.981 3.734 -0.399 1.00 2.19 C ATOM 1034 C GLY A 66 -9.099 2.985 0.929 1.00 1.50 C ATOM 1035 O GLY A 66 -8.414 3.294 1.887 1.00 2.54 O ATOM 0 H GLY A 66 -7.400 3.165 -1.714 1.00 1.63 H new ATOM 0 HA2 GLY A 66 -9.312 4.766 -0.278 1.00 2.19 H new ATOM 0 HA3 GLY A 66 -9.630 3.277 -1.146 1.00 2.19 H new ATOM 1039 N THR A 67 -9.962 2.004 0.992 1.00 1.28 N ATOM 1040 CA THR A 67 -10.129 1.228 2.256 1.00 1.84 C ATOM 1041 C THR A 67 -9.679 -0.218 2.035 1.00 1.64 C ATOM 1042 O THR A 67 -9.214 -0.876 2.946 1.00 2.85 O ATOM 1043 CB THR A 67 -11.601 1.243 2.676 1.00 3.01 C ATOM 1044 OG1 THR A 67 -12.423 1.138 1.521 1.00 3.10 O ATOM 1045 CG2 THR A 67 -11.912 2.547 3.410 1.00 4.13 C ATOM 0 H THR A 67 -10.559 1.707 0.220 1.00 1.28 H new ATOM 0 HA THR A 67 -9.522 1.682 3.039 1.00 1.84 H new ATOM 0 HB THR A 67 -11.798 0.401 3.340 1.00 3.01 H new ATOM 0 HG1 THR A 67 -13.366 1.146 1.789 1.00 3.10 H new ATOM 0 HG21 THR A 67 -12.960 2.556 3.708 1.00 4.13 H new ATOM 0 HG22 THR A 67 -11.282 2.625 4.296 1.00 4.13 H new ATOM 0 HG23 THR A 67 -11.716 3.392 2.750 1.00 4.13 H new ATOM 1053 N LYS A 68 -9.816 -0.716 0.832 1.00 1.17 N ATOM 1054 CA LYS A 68 -9.402 -2.120 0.542 1.00 1.05 C ATOM 1055 C LYS A 68 -7.899 -2.279 0.793 1.00 0.88 C ATOM 1056 O LYS A 68 -7.485 -3.003 1.679 1.00 1.02 O ATOM 1057 CB LYS A 68 -9.716 -2.448 -0.923 1.00 1.37 C ATOM 1058 CG LYS A 68 -10.198 -3.896 -1.035 1.00 1.75 C ATOM 1059 CD LYS A 68 -10.836 -4.117 -2.408 1.00 2.54 C ATOM 1060 CE LYS A 68 -12.279 -3.611 -2.392 1.00 3.46 C ATOM 1061 NZ LYS A 68 -13.202 -4.751 -2.130 1.00 4.04 N ATOM 0 H LYS A 68 -10.199 -0.207 0.035 1.00 1.17 H new ATOM 0 HA LYS A 68 -9.947 -2.801 1.195 1.00 1.05 H new ATOM 0 HB2 LYS A 68 -10.480 -1.770 -1.302 1.00 1.37 H new ATOM 0 HB3 LYS A 68 -8.827 -2.302 -1.537 1.00 1.37 H new ATOM 0 HG2 LYS A 68 -9.361 -4.581 -0.897 1.00 1.75 H new ATOM 0 HG3 LYS A 68 -10.920 -4.112 -0.248 1.00 1.75 H new ATOM 0 HD2 LYS A 68 -10.265 -3.593 -3.174 1.00 2.54 H new ATOM 0 HD3 LYS A 68 -10.814 -5.176 -2.664 1.00 2.54 H new ATOM 0 HE2 LYS A 68 -12.399 -2.848 -1.623 1.00 3.46 H new ATOM 0 HE3 LYS A 68 -12.523 -3.144 -3.346 1.00 3.46 H new ATOM 0 HZ1 LYS A 68 -14.184 -4.407 -2.119 1.00 4.04 H new ATOM 0 HZ2 LYS A 68 -13.093 -5.465 -2.879 1.00 4.04 H new ATOM 0 HZ3 LYS A 68 -12.974 -5.178 -1.209 1.00 4.04 H new ATOM 1075 N ILE A 69 -7.083 -1.611 0.017 1.00 0.74 N ATOM 1076 CA ILE A 69 -5.605 -1.724 0.200 1.00 0.62 C ATOM 1077 C ILE A 69 -5.205 -1.172 1.571 1.00 0.61 C ATOM 1078 O ILE A 69 -4.227 -1.601 2.153 1.00 0.62 O ATOM 1079 CB ILE A 69 -4.888 -0.931 -0.902 1.00 0.56 C ATOM 1080 CG1 ILE A 69 -5.348 -1.424 -2.280 1.00 0.64 C ATOM 1081 CG2 ILE A 69 -3.371 -1.107 -0.773 1.00 0.69 C ATOM 1082 CD1 ILE A 69 -5.048 -2.919 -2.443 1.00 2.24 C ATOM 0 H ILE A 69 -7.378 -0.991 -0.737 1.00 0.74 H new ATOM 0 HA ILE A 69 -5.317 -2.774 0.139 1.00 0.62 H new ATOM 0 HB ILE A 69 -5.135 0.125 -0.795 1.00 0.56 H new ATOM 0 HG12 ILE A 69 -6.417 -1.247 -2.398 1.00 0.64 H new ATOM 0 HG13 ILE A 69 -4.843 -0.858 -3.063 1.00 0.64 H new ATOM 0 HG21 ILE A 69 -2.871 -0.541 -1.559 1.00 0.69 H new ATOM 0 HG22 ILE A 69 -3.044 -0.743 0.201 1.00 0.69 H new ATOM 0 HG23 ILE A 69 -3.118 -2.163 -0.869 1.00 0.69 H new ATOM 0 HD11 ILE A 69 -5.381 -3.252 -3.426 1.00 2.24 H new ATOM 0 HD12 ILE A 69 -3.975 -3.087 -2.347 1.00 2.24 H new ATOM 0 HD13 ILE A 69 -5.574 -3.482 -1.672 1.00 2.24 H new ATOM 1094 N ALA A 70 -5.947 -0.224 2.091 1.00 0.69 N ATOM 1095 CA ALA A 70 -5.602 0.360 3.426 1.00 0.76 C ATOM 1096 C ALA A 70 -5.564 -0.746 4.484 1.00 0.83 C ATOM 1097 O ALA A 70 -4.794 -0.689 5.424 1.00 0.85 O ATOM 1098 CB ALA A 70 -6.651 1.402 3.816 1.00 0.92 C ATOM 0 H ALA A 70 -6.777 0.171 1.649 1.00 0.69 H new ATOM 0 HA ALA A 70 -4.622 0.834 3.366 1.00 0.76 H new ATOM 0 HB1 ALA A 70 -6.399 1.826 4.788 1.00 0.92 H new ATOM 0 HB2 ALA A 70 -6.672 2.195 3.068 1.00 0.92 H new ATOM 0 HB3 ALA A 70 -7.631 0.929 3.870 1.00 0.92 H new ATOM 1104 N GLU A 71 -6.386 -1.755 4.330 1.00 0.92 N ATOM 1105 CA GLU A 71 -6.395 -2.871 5.319 1.00 1.05 C ATOM 1106 C GLU A 71 -5.054 -3.604 5.251 1.00 0.97 C ATOM 1107 O GLU A 71 -4.520 -4.032 6.256 1.00 1.02 O ATOM 1108 CB GLU A 71 -7.531 -3.842 4.986 1.00 1.20 C ATOM 1109 CG GLU A 71 -8.126 -4.395 6.282 1.00 1.58 C ATOM 1110 CD GLU A 71 -9.556 -4.874 6.024 1.00 2.14 C ATOM 1111 OE1 GLU A 71 -9.715 -5.822 5.273 1.00 2.57 O ATOM 1112 OE2 GLU A 71 -10.467 -4.286 6.583 1.00 3.27 O ATOM 0 H GLU A 71 -7.050 -1.852 3.562 1.00 0.92 H new ATOM 0 HA GLU A 71 -6.548 -2.475 6.323 1.00 1.05 H new ATOM 0 HB2 GLU A 71 -8.302 -3.332 4.408 1.00 1.20 H new ATOM 0 HB3 GLU A 71 -7.157 -4.658 4.368 1.00 1.20 H new ATOM 0 HG2 GLU A 71 -7.516 -5.219 6.652 1.00 1.58 H new ATOM 0 HG3 GLU A 71 -8.123 -3.625 7.054 1.00 1.58 H new ATOM 1119 N LYS A 72 -4.510 -3.745 4.068 1.00 0.90 N ATOM 1120 CA LYS A 72 -3.199 -4.443 3.918 1.00 0.90 C ATOM 1121 C LYS A 72 -2.098 -3.582 4.540 1.00 0.81 C ATOM 1122 O LYS A 72 -1.120 -4.090 5.058 1.00 0.83 O ATOM 1123 CB LYS A 72 -2.904 -4.663 2.429 1.00 0.94 C ATOM 1124 CG LYS A 72 -3.259 -6.101 2.042 1.00 1.34 C ATOM 1125 CD LYS A 72 -4.776 -6.295 2.112 1.00 2.69 C ATOM 1126 CE LYS A 72 -5.382 -6.100 0.721 1.00 3.50 C ATOM 1127 NZ LYS A 72 -5.261 -7.366 -0.054 1.00 3.42 N ATOM 0 H LYS A 72 -4.920 -3.405 3.198 1.00 0.90 H new ATOM 0 HA LYS A 72 -3.236 -5.408 4.423 1.00 0.90 H new ATOM 0 HB2 LYS A 72 -3.480 -3.961 1.826 1.00 0.94 H new ATOM 0 HB3 LYS A 72 -1.851 -4.470 2.224 1.00 0.94 H new ATOM 0 HG2 LYS A 72 -2.901 -6.316 1.035 1.00 1.34 H new ATOM 0 HG3 LYS A 72 -2.762 -6.802 2.713 1.00 1.34 H new ATOM 0 HD2 LYS A 72 -5.009 -7.293 2.485 1.00 2.69 H new ATOM 0 HD3 LYS A 72 -5.212 -5.583 2.813 1.00 2.69 H new ATOM 0 HE2 LYS A 72 -6.430 -5.812 0.806 1.00 3.50 H new ATOM 0 HE3 LYS A 72 -4.870 -5.291 0.199 1.00 3.50 H new ATOM 0 HZ1 LYS A 72 -5.673 -7.235 -1.000 1.00 3.42 H new ATOM 0 HZ2 LYS A 72 -4.257 -7.622 -0.146 1.00 3.42 H new ATOM 0 HZ3 LYS A 72 -5.768 -8.126 0.442 1.00 3.42 H new ATOM 1141 N ILE A 73 -2.256 -2.282 4.503 1.00 0.75 N ATOM 1142 CA ILE A 73 -1.227 -1.380 5.101 1.00 0.70 C ATOM 1143 C ILE A 73 -1.169 -1.634 6.610 1.00 0.71 C ATOM 1144 O ILE A 73 -0.111 -1.631 7.215 1.00 0.74 O ATOM 1145 CB ILE A 73 -1.604 0.082 4.828 1.00 0.72 C ATOM 1146 CG1 ILE A 73 -1.792 0.302 3.316 1.00 0.85 C ATOM 1147 CG2 ILE A 73 -0.498 1.007 5.340 1.00 0.73 C ATOM 1148 CD1 ILE A 73 -0.502 -0.045 2.558 1.00 0.90 C ATOM 0 H ILE A 73 -3.055 -1.807 4.083 1.00 0.75 H new ATOM 0 HA ILE A 73 -0.251 -1.579 4.658 1.00 0.70 H new ATOM 0 HB ILE A 73 -2.536 0.308 5.345 1.00 0.72 H new ATOM 0 HG12 ILE A 73 -2.612 -0.316 2.952 1.00 0.85 H new ATOM 0 HG13 ILE A 73 -2.065 1.340 3.125 1.00 0.85 H new ATOM 0 HG21 ILE A 73 -0.771 2.044 5.144 1.00 0.73 H new ATOM 0 HG22 ILE A 73 -0.370 0.862 6.413 1.00 0.73 H new ATOM 0 HG23 ILE A 73 0.436 0.775 4.829 1.00 0.73 H new ATOM 0 HD11 ILE A 73 -0.653 0.116 1.491 1.00 0.90 H new ATOM 0 HD12 ILE A 73 0.309 0.592 2.910 1.00 0.90 H new ATOM 0 HD13 ILE A 73 -0.246 -1.090 2.735 1.00 0.90 H new ATOM 1160 N ASP A 74 -2.303 -1.876 7.216 1.00 0.78 N ATOM 1161 CA ASP A 74 -2.325 -2.156 8.679 1.00 0.86 C ATOM 1162 C ASP A 74 -1.773 -3.563 8.910 1.00 0.89 C ATOM 1163 O ASP A 74 -1.145 -3.834 9.916 1.00 0.92 O ATOM 1164 CB ASP A 74 -3.762 -2.073 9.200 1.00 0.96 C ATOM 1165 CG ASP A 74 -3.755 -2.156 10.727 1.00 1.55 C ATOM 1166 OD1 ASP A 74 -3.637 -1.118 11.357 1.00 2.31 O ATOM 1167 OD2 ASP A 74 -3.867 -3.257 11.241 1.00 2.77 O ATOM 0 H ASP A 74 -3.214 -1.891 6.758 1.00 0.78 H new ATOM 0 HA ASP A 74 -1.717 -1.423 9.209 1.00 0.86 H new ATOM 0 HB2 ASP A 74 -4.224 -1.140 8.878 1.00 0.96 H new ATOM 0 HB3 ASP A 74 -4.359 -2.884 8.784 1.00 0.96 H new ATOM 1172 N GLU A 75 -1.984 -4.457 7.970 1.00 0.97 N ATOM 1173 CA GLU A 75 -1.451 -5.846 8.116 1.00 1.05 C ATOM 1174 C GLU A 75 0.075 -5.773 8.183 1.00 1.06 C ATOM 1175 O GLU A 75 0.717 -6.546 8.868 1.00 1.09 O ATOM 1176 CB GLU A 75 -1.877 -6.692 6.913 1.00 1.20 C ATOM 1177 CG GLU A 75 -1.977 -8.160 7.331 1.00 1.31 C ATOM 1178 CD GLU A 75 -3.339 -8.416 7.981 1.00 2.66 C ATOM 1179 OE1 GLU A 75 -4.339 -8.214 7.312 1.00 3.50 O ATOM 1180 OE2 GLU A 75 -3.358 -8.809 9.136 1.00 3.74 O ATOM 0 H GLU A 75 -2.503 -4.282 7.109 1.00 0.97 H new ATOM 0 HA GLU A 75 -1.844 -6.305 9.024 1.00 1.05 H new ATOM 0 HB2 GLU A 75 -2.838 -6.345 6.533 1.00 1.20 H new ATOM 0 HB3 GLU A 75 -1.155 -6.582 6.104 1.00 1.20 H new ATOM 0 HG2 GLU A 75 -1.850 -8.806 6.462 1.00 1.31 H new ATOM 0 HG3 GLU A 75 -1.177 -8.405 8.030 1.00 1.31 H new ATOM 1187 N PHE A 76 0.654 -4.819 7.492 1.00 1.10 N ATOM 1188 CA PHE A 76 2.136 -4.646 7.522 1.00 1.19 C ATOM 1189 C PHE A 76 2.556 -4.348 8.952 1.00 1.07 C ATOM 1190 O PHE A 76 3.397 -5.012 9.528 1.00 1.24 O ATOM 1191 CB PHE A 76 2.530 -3.440 6.658 1.00 1.50 C ATOM 1192 CG PHE A 76 2.638 -3.811 5.195 1.00 1.02 C ATOM 1193 CD1 PHE A 76 1.699 -4.664 4.598 1.00 2.05 C ATOM 1194 CD2 PHE A 76 3.680 -3.276 4.431 1.00 1.97 C ATOM 1195 CE1 PHE A 76 1.809 -4.980 3.238 1.00 2.19 C ATOM 1196 CE2 PHE A 76 3.790 -3.593 3.073 1.00 2.43 C ATOM 1197 CZ PHE A 76 2.854 -4.445 2.476 1.00 1.90 C ATOM 0 H PHE A 76 0.156 -4.149 6.905 1.00 1.10 H new ATOM 0 HA PHE A 76 2.616 -5.550 7.148 1.00 1.19 H new ATOM 0 HB2 PHE A 76 1.790 -2.649 6.779 1.00 1.50 H new ATOM 0 HB3 PHE A 76 3.484 -3.041 7.004 1.00 1.50 H new ATOM 0 HD1 PHE A 76 0.892 -5.077 5.186 1.00 2.05 H new ATOM 0 HD2 PHE A 76 4.401 -2.617 4.890 1.00 1.97 H new ATOM 0 HE1 PHE A 76 1.087 -5.637 2.777 1.00 2.19 H new ATOM 0 HE2 PHE A 76 4.597 -3.180 2.486 1.00 2.43 H new ATOM 0 HZ PHE A 76 2.938 -4.690 1.427 1.00 1.90 H new ATOM 1207 N LEU A 77 1.980 -3.323 9.505 1.00 0.98 N ATOM 1208 CA LEU A 77 2.323 -2.908 10.890 1.00 1.12 C ATOM 1209 C LEU A 77 1.370 -3.561 11.900 1.00 1.18 C ATOM 1210 O LEU A 77 1.216 -3.083 13.008 1.00 1.47 O ATOM 1211 CB LEU A 77 2.214 -1.382 10.984 1.00 1.25 C ATOM 1212 CG LEU A 77 2.934 -0.726 9.788 1.00 1.13 C ATOM 1213 CD1 LEU A 77 2.096 0.434 9.254 1.00 1.86 C ATOM 1214 CD2 LEU A 77 4.301 -0.217 10.233 1.00 2.16 C ATOM 0 H LEU A 77 1.274 -2.745 9.049 1.00 0.98 H new ATOM 0 HA LEU A 77 3.338 -3.228 11.124 1.00 1.12 H new ATOM 0 HB2 LEU A 77 1.166 -1.084 10.995 1.00 1.25 H new ATOM 0 HB3 LEU A 77 2.654 -1.035 11.919 1.00 1.25 H new ATOM 0 HG LEU A 77 3.065 -1.463 8.996 1.00 1.13 H new ATOM 0 HD11 LEU A 77 2.608 0.894 8.409 1.00 1.86 H new ATOM 0 HD12 LEU A 77 1.124 0.062 8.930 1.00 1.86 H new ATOM 0 HD13 LEU A 77 1.957 1.175 10.041 1.00 1.86 H new ATOM 0 HD21 LEU A 77 4.810 0.246 9.388 1.00 2.16 H new ATOM 0 HD22 LEU A 77 4.174 0.518 11.028 1.00 2.16 H new ATOM 0 HD23 LEU A 77 4.897 -1.051 10.602 1.00 2.16 H new ATOM 1226 N ALA A 78 0.727 -4.643 11.530 1.00 1.08 N ATOM 1227 CA ALA A 78 -0.216 -5.315 12.472 1.00 1.21 C ATOM 1228 C ALA A 78 0.556 -6.274 13.380 1.00 1.51 C ATOM 1229 O ALA A 78 0.347 -6.306 14.578 1.00 1.87 O ATOM 1230 CB ALA A 78 -1.260 -6.098 11.674 1.00 1.24 C ATOM 0 H ALA A 78 0.816 -5.088 10.616 1.00 1.08 H new ATOM 0 HA ALA A 78 -0.713 -4.562 13.084 1.00 1.21 H new ATOM 0 HB1 ALA A 78 -1.949 -6.589 12.361 1.00 1.24 H new ATOM 0 HB2 ALA A 78 -1.814 -5.414 11.031 1.00 1.24 H new ATOM 0 HB3 ALA A 78 -0.761 -6.849 11.061 1.00 1.24 H new ATOM 1236 N THR A 79 1.444 -7.054 12.817 1.00 1.66 N ATOM 1237 CA THR A 79 2.232 -8.014 13.646 1.00 2.07 C ATOM 1238 C THR A 79 3.523 -8.390 12.909 1.00 2.74 C ATOM 1239 O THR A 79 3.787 -9.550 12.644 1.00 3.78 O ATOM 1240 CB THR A 79 1.394 -9.272 13.905 1.00 2.79 C ATOM 1241 OG1 THR A 79 2.196 -10.247 14.555 1.00 3.40 O ATOM 1242 CG2 THR A 79 0.883 -9.833 12.577 1.00 4.05 C ATOM 0 H THR A 79 1.657 -7.067 11.820 1.00 1.66 H new ATOM 0 HA THR A 79 2.487 -7.550 14.599 1.00 2.07 H new ATOM 0 HB THR A 79 0.544 -9.017 14.538 1.00 2.79 H new ATOM 0 HG1 THR A 79 2.962 -10.472 13.987 1.00 3.40 H new ATOM 0 HG21 THR A 79 0.288 -10.727 12.764 1.00 4.05 H new ATOM 0 HG22 THR A 79 0.267 -9.085 12.079 1.00 4.05 H new ATOM 0 HG23 THR A 79 1.730 -10.088 11.940 1.00 4.05 H new ATOM 1250 N GLY A 80 4.329 -7.413 12.579 1.00 2.98 N ATOM 1251 CA GLY A 80 5.607 -7.699 11.862 1.00 4.12 C ATOM 1252 C GLY A 80 6.624 -8.280 12.845 1.00 4.89 C ATOM 1253 O GLY A 80 7.473 -9.070 12.477 1.00 5.98 O ATOM 0 H GLY A 80 4.156 -6.427 12.776 1.00 2.98 H new ATOM 0 HA2 GLY A 80 5.430 -8.401 11.048 1.00 4.12 H new ATOM 0 HA3 GLY A 80 5.998 -6.785 11.415 1.00 4.12 H new ATOM 1257 N LYS A 81 6.543 -7.892 14.094 1.00 4.94 N ATOM 1258 CA LYS A 81 7.502 -8.417 15.110 1.00 6.24 C ATOM 1259 C LYS A 81 6.728 -8.950 16.317 1.00 6.60 C ATOM 1260 O LYS A 81 5.785 -8.336 16.780 1.00 6.82 O ATOM 1261 CB LYS A 81 8.433 -7.289 15.561 1.00 7.22 C ATOM 1262 CG LYS A 81 9.558 -7.116 14.539 1.00 8.19 C ATOM 1263 CD LYS A 81 10.843 -6.700 15.260 1.00 9.62 C ATOM 1264 CE LYS A 81 10.660 -5.308 15.869 1.00 10.04 C ATOM 1265 NZ LYS A 81 11.473 -5.200 17.113 1.00 11.01 N ATOM 0 H LYS A 81 5.852 -7.233 14.453 1.00 4.94 H new ATOM 0 HA LYS A 81 8.090 -9.223 14.671 1.00 6.24 H new ATOM 0 HB2 LYS A 81 7.873 -6.359 15.662 1.00 7.22 H new ATOM 0 HB3 LYS A 81 8.850 -7.518 16.542 1.00 7.22 H new ATOM 0 HG2 LYS A 81 9.718 -8.048 13.997 1.00 8.19 H new ATOM 0 HG3 LYS A 81 9.281 -6.362 13.802 1.00 8.19 H new ATOM 0 HD2 LYS A 81 11.084 -7.421 16.041 1.00 9.62 H new ATOM 0 HD3 LYS A 81 11.679 -6.696 14.561 1.00 9.62 H new ATOM 0 HE2 LYS A 81 10.966 -4.544 15.155 1.00 10.04 H new ATOM 0 HE3 LYS A 81 9.608 -5.133 16.093 1.00 10.04 H new ATOM 0 HZ1 LYS A 81 11.349 -4.254 17.528 1.00 11.01 H new ATOM 0 HZ2 LYS A 81 11.161 -5.921 17.795 1.00 11.01 H new ATOM 0 HZ3 LYS A 81 12.477 -5.350 16.886 1.00 11.01 H new ATOM 1279 N LEU A 82 7.122 -10.090 16.828 1.00 7.25 N ATOM 1280 CA LEU A 82 6.420 -10.679 18.010 1.00 8.10 C ATOM 1281 C LEU A 82 4.945 -10.918 17.672 1.00 8.56 C ATOM 1282 O LEU A 82 4.500 -10.645 16.574 1.00 8.67 O ATOM 1283 CB LEU A 82 6.523 -9.721 19.199 1.00 8.79 C ATOM 1284 CG LEU A 82 7.765 -10.062 20.023 1.00 9.63 C ATOM 1285 CD1 LEU A 82 8.216 -8.827 20.805 1.00 10.54 C ATOM 1286 CD2 LEU A 82 7.432 -11.190 21.003 1.00 10.45 C ATOM 0 H LEU A 82 7.904 -10.641 16.475 1.00 7.25 H new ATOM 0 HA LEU A 82 6.889 -11.629 18.267 1.00 8.10 H new ATOM 0 HB2 LEU A 82 6.579 -8.691 18.846 1.00 8.79 H new ATOM 0 HB3 LEU A 82 5.630 -9.797 19.819 1.00 8.79 H new ATOM 0 HG LEU A 82 8.566 -10.382 19.356 1.00 9.63 H new ATOM 0 HD11 LEU A 82 9.101 -9.071 21.392 1.00 10.54 H new ATOM 0 HD12 LEU A 82 8.453 -8.022 20.109 1.00 10.54 H new ATOM 0 HD13 LEU A 82 7.416 -8.506 21.472 1.00 10.54 H new ATOM 0 HD21 LEU A 82 8.317 -11.434 21.591 1.00 10.45 H new ATOM 0 HD22 LEU A 82 6.631 -10.869 21.669 1.00 10.45 H new ATOM 0 HD23 LEU A 82 7.111 -12.071 20.448 1.00 10.45 H new ATOM 1298 N ARG A 83 4.188 -11.425 18.612 1.00 9.36 N ATOM 1299 CA ARG A 83 2.741 -11.684 18.357 1.00 10.38 C ATOM 1300 C ARG A 83 2.004 -11.835 19.690 1.00 11.53 C ATOM 1301 O ARG A 83 1.754 -12.933 20.149 1.00 12.08 O ATOM 1302 CB ARG A 83 2.589 -12.970 17.542 1.00 10.79 C ATOM 1303 CG ARG A 83 1.135 -13.116 17.087 1.00 11.31 C ATOM 1304 CD ARG A 83 1.054 -14.087 15.905 1.00 11.86 C ATOM 1305 NE ARG A 83 0.151 -13.523 14.843 1.00 12.50 N ATOM 1306 CZ ARG A 83 -1.078 -13.123 15.104 1.00 13.33 C ATOM 1307 NH1 ARG A 83 -1.654 -13.379 16.253 1.00 13.74 N ATOM 1308 NH2 ARG A 83 -1.758 -12.510 14.173 1.00 14.14 N ATOM 0 H ARG A 83 4.512 -11.671 19.547 1.00 9.36 H new ATOM 0 HA ARG A 83 2.316 -10.848 17.801 1.00 10.38 H new ATOM 0 HB2 ARG A 83 3.251 -12.945 16.677 1.00 10.79 H new ATOM 0 HB3 ARG A 83 2.882 -13.831 18.143 1.00 10.79 H new ATOM 0 HG2 ARG A 83 0.522 -13.481 17.911 1.00 11.31 H new ATOM 0 HG3 ARG A 83 0.736 -12.144 16.798 1.00 11.31 H new ATOM 0 HD2 ARG A 83 2.049 -14.259 15.495 1.00 11.86 H new ATOM 0 HD3 ARG A 83 0.676 -15.053 16.241 1.00 11.86 H new ATOM 0 HE ARG A 83 0.501 -13.447 13.888 1.00 12.50 H new ATOM 0 HH11 ARG A 83 -1.150 -13.899 16.971 1.00 13.74 H new ATOM 0 HH12 ARG A 83 -2.606 -13.058 16.429 1.00 13.74 H new ATOM 0 HH21 ARG A 83 -1.337 -12.346 13.258 1.00 14.14 H new ATOM 0 HH22 ARG A 83 -2.710 -12.195 14.360 1.00 14.14 H new ATOM 1322 N LYS A 84 1.653 -10.736 20.310 1.00 12.24 N ATOM 1323 CA LYS A 84 0.927 -10.804 21.612 1.00 13.67 C ATOM 1324 C LYS A 84 -0.156 -9.724 21.647 1.00 14.72 C ATOM 1325 O LYS A 84 -0.335 -9.040 22.639 1.00 15.47 O ATOM 1326 CB LYS A 84 1.917 -10.581 22.760 1.00 14.18 C ATOM 1327 CG LYS A 84 1.468 -11.381 23.985 1.00 15.17 C ATOM 1328 CD LYS A 84 0.590 -10.502 24.878 1.00 16.22 C ATOM 1329 CE LYS A 84 0.537 -11.096 26.286 1.00 17.35 C ATOM 1330 NZ LYS A 84 -0.575 -10.466 27.053 1.00 18.52 N ATOM 0 H LYS A 84 1.839 -9.793 19.968 1.00 12.24 H new ATOM 0 HA LYS A 84 0.463 -11.784 21.722 1.00 13.67 H new ATOM 0 HB2 LYS A 84 2.917 -10.891 22.457 1.00 14.18 H new ATOM 0 HB3 LYS A 84 1.972 -9.520 23.006 1.00 14.18 H new ATOM 0 HG2 LYS A 84 0.914 -12.266 23.671 1.00 15.17 H new ATOM 0 HG3 LYS A 84 2.337 -11.730 24.543 1.00 15.17 H new ATOM 0 HD2 LYS A 84 0.990 -9.489 24.914 1.00 16.22 H new ATOM 0 HD3 LYS A 84 -0.415 -10.433 24.463 1.00 16.22 H new ATOM 0 HE2 LYS A 84 0.389 -12.175 26.231 1.00 17.35 H new ATOM 0 HE3 LYS A 84 1.485 -10.930 26.798 1.00 17.35 H new ATOM 0 HZ1 LYS A 84 -0.610 -10.871 28.010 1.00 18.52 H new ATOM 0 HZ2 LYS A 84 -0.415 -9.440 27.117 1.00 18.52 H new ATOM 0 HZ3 LYS A 84 -1.477 -10.646 26.568 1.00 18.52 H new ATOM 1344 N LEU A 85 -0.881 -9.568 20.569 1.00 15.06 N ATOM 1345 CA LEU A 85 -1.957 -8.536 20.527 1.00 16.41 C ATOM 1346 C LEU A 85 -3.220 -9.088 21.191 1.00 17.61 C ATOM 1347 O LEU A 85 -3.214 -10.167 21.754 1.00 17.85 O ATOM 1348 CB LEU A 85 -2.264 -8.174 19.070 1.00 16.56 C ATOM 1349 CG LEU A 85 -2.582 -9.450 18.269 1.00 16.35 C ATOM 1350 CD1 LEU A 85 -3.921 -9.289 17.547 1.00 17.13 C ATOM 1351 CD2 LEU A 85 -1.479 -9.699 17.234 1.00 16.10 C ATOM 0 H LEU A 85 -0.773 -10.113 19.714 1.00 15.06 H new ATOM 0 HA LEU A 85 -1.625 -7.645 21.060 1.00 16.41 H new ATOM 0 HB2 LEU A 85 -3.109 -7.487 19.027 1.00 16.56 H new ATOM 0 HB3 LEU A 85 -1.412 -7.659 18.627 1.00 16.56 H new ATOM 0 HG LEU A 85 -2.638 -10.295 18.956 1.00 16.35 H new ATOM 0 HD11 LEU A 85 -4.141 -10.195 16.982 1.00 17.13 H new ATOM 0 HD12 LEU A 85 -4.710 -9.117 18.279 1.00 17.13 H new ATOM 0 HD13 LEU A 85 -3.867 -8.440 16.865 1.00 17.13 H new ATOM 0 HD21 LEU A 85 -1.707 -10.603 16.669 1.00 16.10 H new ATOM 0 HD22 LEU A 85 -1.421 -8.850 16.553 1.00 16.10 H new ATOM 0 HD23 LEU A 85 -0.523 -9.821 17.743 1.00 16.10 H new ATOM 1363 N GLU A 86 -4.302 -8.354 21.129 1.00 18.60 N ATOM 1364 CA GLU A 86 -5.573 -8.826 21.754 1.00 19.98 C ATOM 1365 C GLU A 86 -6.750 -8.036 21.177 1.00 21.06 C ATOM 1366 O GLU A 86 -7.785 -8.593 20.860 1.00 21.59 O ATOM 1367 CB GLU A 86 -5.510 -8.617 23.269 1.00 20.63 C ATOM 1368 CG GLU A 86 -5.151 -7.160 23.571 1.00 20.96 C ATOM 1369 CD GLU A 86 -4.821 -7.013 25.057 1.00 21.73 C ATOM 1370 OE1 GLU A 86 -5.654 -7.383 25.868 1.00 22.57 O ATOM 1371 OE2 GLU A 86 -3.741 -6.532 25.360 1.00 21.66 O ATOM 0 H GLU A 86 -4.359 -7.445 20.670 1.00 18.60 H new ATOM 0 HA GLU A 86 -5.708 -9.887 21.542 1.00 19.98 H new ATOM 0 HB2 GLU A 86 -6.470 -8.867 23.721 1.00 20.63 H new ATOM 0 HB3 GLU A 86 -4.768 -9.284 23.708 1.00 20.63 H new ATOM 0 HG2 GLU A 86 -4.298 -6.852 22.966 1.00 20.96 H new ATOM 0 HG3 GLU A 86 -5.983 -6.507 23.306 1.00 20.96 H new ATOM 1378 N LYS A 87 -6.598 -6.743 21.038 1.00 21.63 N ATOM 1379 CA LYS A 87 -7.701 -5.908 20.480 1.00 22.93 C ATOM 1380 C LYS A 87 -7.425 -5.624 19.002 1.00 23.09 C ATOM 1381 O LYS A 87 -8.362 -5.281 18.300 1.00 23.91 O ATOM 1382 CB LYS A 87 -7.782 -4.586 21.248 1.00 23.75 C ATOM 1383 CG LYS A 87 -9.230 -4.093 21.266 1.00 25.05 C ATOM 1384 CD LYS A 87 -9.921 -4.585 22.539 1.00 25.83 C ATOM 1385 CE LYS A 87 -9.494 -3.713 23.721 1.00 26.46 C ATOM 1386 NZ LYS A 87 -10.221 -4.149 24.946 1.00 27.46 N ATOM 1387 OXT LYS A 87 -6.281 -5.753 18.599 1.00 22.57 O ATOM 0 H LYS A 87 -5.753 -6.229 21.289 1.00 21.63 H new ATOM 0 HA LYS A 87 -8.646 -6.442 20.578 1.00 22.93 H new ATOM 0 HB2 LYS A 87 -7.421 -4.723 22.267 1.00 23.75 H new ATOM 0 HB3 LYS A 87 -7.139 -3.841 20.779 1.00 23.75 H new ATOM 0 HG2 LYS A 87 -9.255 -3.004 21.224 1.00 25.05 H new ATOM 0 HG3 LYS A 87 -9.761 -4.459 20.387 1.00 25.05 H new ATOM 0 HD2 LYS A 87 -11.003 -4.545 22.416 1.00 25.83 H new ATOM 0 HD3 LYS A 87 -9.660 -5.626 22.728 1.00 25.83 H new ATOM 0 HE2 LYS A 87 -8.418 -3.793 23.876 1.00 26.46 H new ATOM 0 HE3 LYS A 87 -9.709 -2.665 23.511 1.00 26.46 H new ATOM 0 HZ1 LYS A 87 -9.932 -3.557 25.751 1.00 27.46 H new ATOM 0 HZ2 LYS A 87 -11.245 -4.051 24.795 1.00 27.46 H new ATOM 0 HZ3 LYS A 87 -9.994 -5.144 25.149 1.00 27.46 H new TER 1401 LYS A 87