USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, 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 48 THR OG1 : rot 177:sc= -0.594 USER MOD Set 1.2: A 55 TYR OH : rot 30:sc= 0.167 USER MOD Set 2.1: A 23 SER OG : rot 170:sc= -0.0111 USER MOD Set 2.2: A 26 SER OG : rot -70:sc= 0.303 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= 0.989 (180deg=0.411) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= -0.0228 (180deg=-0.161) USER MOD Single : A 10 GLN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.759 K(o=-0.76,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0161 X(o=-0.016,f=-0.34) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 34 GLN : amide:sc= -2.1 K(o=-2.1,f=-4.7!) USER MOD Single : A 35 LYS NZ :NH3+ -149:sc= 1.25 (180deg=1.03) USER MOD Single : A 36 GLN : amide:sc= -3.91! K(o=-3.9!,f=-0.4) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 49 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.44) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 62 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.37) USER MOD Single : A 64 ASN : amide:sc= -0.127 K(o=-0.13,f=-2.6!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -170:sc= 0.381 (180deg=0.336) USER MOD Single : A 72 THR OG1 : rot 118:sc= 0.45 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 2:sc= 0.371 USER MOD Single : A 80 HIS : no HD1:sc= -0.4 X(o=-0.4,f=0.082) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0213 X(o=-0.021,f=-0.39) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.852 -4.768 6.130 1.00 71.12 N ATOM 2 CA MET A 1 -23.439 -4.842 6.583 1.00 51.40 C ATOM 3 C MET A 1 -22.634 -3.688 5.946 1.00 21.43 C ATOM 4 O MET A 1 -22.719 -3.493 4.726 1.00 30.12 O ATOM 5 CB MET A 1 -22.818 -6.220 6.212 1.00 71.24 C ATOM 6 CG MET A 1 -23.484 -7.443 6.870 1.00 3.51 C ATOM 7 SD MET A 1 -25.221 -7.648 6.404 1.00 72.42 S ATOM 8 CE MET A 1 -25.684 -9.087 7.372 1.00 61.34 C ATOM 0 H1 MET A 1 -25.346 -5.646 6.387 1.00 71.12 H new ATOM 0 H2 MET A 1 -25.321 -3.960 6.587 1.00 71.12 H new ATOM 0 H3 MET A 1 -24.880 -4.645 5.098 1.00 71.12 H new ATOM 0 HA MET A 1 -23.404 -4.742 7.668 1.00 51.40 H new ATOM 0 HB2 MET A 1 -22.864 -6.341 5.130 1.00 71.24 H new ATOM 0 HB3 MET A 1 -21.763 -6.210 6.487 1.00 71.24 H new ATOM 0 HG2 MET A 1 -22.932 -8.341 6.593 1.00 3.51 H new ATOM 0 HG3 MET A 1 -23.414 -7.347 7.954 1.00 3.51 H new ATOM 0 HE1 MET A 1 -26.730 -9.330 7.185 1.00 61.34 H new ATOM 0 HE2 MET A 1 -25.059 -9.933 7.088 1.00 61.34 H new ATOM 0 HE3 MET A 1 -25.545 -8.873 8.432 1.00 61.34 H new ATOM 20 N PRO A 2 -21.846 -2.894 6.756 1.00 3.14 N ATOM 21 CA PRO A 2 -21.100 -1.704 6.254 1.00 32.10 C ATOM 22 C PRO A 2 -19.920 -2.060 5.315 1.00 11.20 C ATOM 23 O PRO A 2 -19.583 -1.274 4.424 1.00 75.03 O ATOM 24 CB PRO A 2 -20.591 -1.034 7.557 1.00 42.44 C ATOM 25 CG PRO A 2 -20.481 -2.159 8.540 1.00 62.11 C ATOM 26 CD PRO A 2 -21.638 -3.079 8.225 1.00 13.22 C ATOM 0 HA PRO A 2 -21.734 -1.064 5.641 1.00 32.10 H new ATOM 0 HB2 PRO A 2 -19.628 -0.547 7.403 1.00 42.44 H new ATOM 0 HB3 PRO A 2 -21.284 -0.268 7.906 1.00 42.44 H new ATOM 0 HG2 PRO A 2 -19.528 -2.678 8.439 1.00 62.11 H new ATOM 0 HG3 PRO A 2 -20.538 -1.793 9.565 1.00 62.11 H new ATOM 0 HD2 PRO A 2 -21.404 -4.115 8.469 1.00 13.22 H new ATOM 0 HD3 PRO A 2 -22.529 -2.811 8.793 1.00 13.22 H new ATOM 34 N SER A 3 -19.315 -3.247 5.552 1.00 3.50 N ATOM 35 CA SER A 3 -18.111 -3.742 4.840 1.00 53.11 C ATOM 36 C SER A 3 -16.877 -2.836 5.058 1.00 44.04 C ATOM 37 O SER A 3 -15.920 -2.915 4.283 1.00 53.34 O ATOM 38 CB SER A 3 -18.396 -3.945 3.324 1.00 42.04 C ATOM 39 OG SER A 3 -19.445 -4.878 3.118 1.00 62.11 O ATOM 0 H SER A 3 -19.656 -3.901 6.257 1.00 3.50 H new ATOM 0 HA SER A 3 -17.869 -4.712 5.275 1.00 53.11 H new ATOM 0 HB2 SER A 3 -18.661 -2.990 2.870 1.00 42.04 H new ATOM 0 HB3 SER A 3 -17.492 -4.295 2.825 1.00 42.04 H new ATOM 0 HG SER A 3 -19.604 -4.985 2.157 1.00 62.11 H new ATOM 45 N GLU A 4 -16.889 -2.040 6.160 1.00 23.22 N ATOM 46 CA GLU A 4 -15.844 -1.035 6.447 1.00 52.03 C ATOM 47 C GLU A 4 -14.451 -1.677 6.525 1.00 14.15 C ATOM 48 O GLU A 4 -13.513 -1.246 5.845 1.00 21.04 O ATOM 49 CB GLU A 4 -16.129 -0.293 7.784 1.00 74.12 C ATOM 50 CG GLU A 4 -15.186 0.913 8.039 1.00 75.13 C ATOM 51 CD GLU A 4 -15.158 1.383 9.503 1.00 63.24 C ATOM 52 OE1 GLU A 4 -16.155 1.974 9.970 1.00 34.54 O ATOM 53 OE2 GLU A 4 -14.129 1.164 10.188 1.00 42.03 O ATOM 0 H GLU A 4 -17.622 -2.081 6.868 1.00 23.22 H new ATOM 0 HA GLU A 4 -15.863 -0.321 5.624 1.00 52.03 H new ATOM 0 HB2 GLU A 4 -17.161 0.058 7.782 1.00 74.12 H new ATOM 0 HB3 GLU A 4 -16.033 -0.999 8.609 1.00 74.12 H new ATOM 0 HG2 GLU A 4 -14.175 0.642 7.735 1.00 75.13 H new ATOM 0 HG3 GLU A 4 -15.496 1.745 7.406 1.00 75.13 H new ATOM 60 N GLU A 5 -14.347 -2.726 7.357 1.00 21.14 N ATOM 61 CA GLU A 5 -13.087 -3.455 7.590 1.00 51.32 C ATOM 62 C GLU A 5 -12.559 -4.059 6.281 1.00 5.00 C ATOM 63 O GLU A 5 -11.366 -3.958 5.977 1.00 21.21 O ATOM 64 CB GLU A 5 -13.302 -4.567 8.641 1.00 51.33 C ATOM 65 CG GLU A 5 -13.817 -4.072 10.003 1.00 10.22 C ATOM 66 CD GLU A 5 -14.117 -5.237 10.962 1.00 21.44 C ATOM 67 OE1 GLU A 5 -13.164 -5.793 11.550 1.00 72.45 O ATOM 68 OE2 GLU A 5 -15.301 -5.616 11.113 1.00 11.32 O ATOM 0 H GLU A 5 -15.136 -3.094 7.889 1.00 21.14 H new ATOM 0 HA GLU A 5 -12.346 -2.750 7.967 1.00 51.32 H new ATOM 0 HB2 GLU A 5 -14.010 -5.293 8.242 1.00 51.33 H new ATOM 0 HB3 GLU A 5 -12.359 -5.092 8.793 1.00 51.33 H new ATOM 0 HG2 GLU A 5 -13.075 -3.413 10.454 1.00 10.22 H new ATOM 0 HG3 GLU A 5 -14.721 -3.481 9.856 1.00 10.22 H new ATOM 75 N GLU A 6 -13.499 -4.634 5.502 1.00 62.35 N ATOM 76 CA GLU A 6 -13.227 -5.276 4.210 1.00 43.41 C ATOM 77 C GLU A 6 -12.601 -4.293 3.218 1.00 70.05 C ATOM 78 O GLU A 6 -11.755 -4.687 2.414 1.00 12.12 O ATOM 79 CB GLU A 6 -14.536 -5.874 3.645 1.00 13.24 C ATOM 80 CG GLU A 6 -14.398 -6.596 2.294 1.00 52.30 C ATOM 81 CD GLU A 6 -15.724 -7.207 1.824 1.00 42.34 C ATOM 82 OE1 GLU A 6 -15.986 -8.400 2.105 1.00 71.12 O ATOM 83 OE2 GLU A 6 -16.523 -6.485 1.188 1.00 13.55 O ATOM 0 H GLU A 6 -14.485 -4.663 5.763 1.00 62.35 H new ATOM 0 HA GLU A 6 -12.506 -6.078 4.365 1.00 43.41 H new ATOM 0 HB2 GLU A 6 -14.940 -6.576 4.374 1.00 13.24 H new ATOM 0 HB3 GLU A 6 -15.266 -5.072 3.537 1.00 13.24 H new ATOM 0 HG2 GLU A 6 -14.038 -5.892 1.543 1.00 52.30 H new ATOM 0 HG3 GLU A 6 -13.648 -7.382 2.379 1.00 52.30 H new ATOM 90 N GLU A 7 -13.008 -3.012 3.305 1.00 60.02 N ATOM 91 CA GLU A 7 -12.446 -1.946 2.468 1.00 72.31 C ATOM 92 C GLU A 7 -10.929 -1.855 2.677 1.00 45.14 C ATOM 93 O GLU A 7 -10.175 -2.030 1.733 1.00 65.41 O ATOM 94 CB GLU A 7 -13.130 -0.582 2.753 1.00 23.41 C ATOM 95 CG GLU A 7 -14.664 -0.552 2.529 1.00 43.20 C ATOM 96 CD GLU A 7 -15.126 -0.607 1.049 1.00 1.04 C ATOM 97 OE1 GLU A 7 -16.036 0.169 0.672 1.00 61.11 O ATOM 98 OE2 GLU A 7 -14.606 -1.424 0.247 1.00 13.24 O ATOM 0 H GLU A 7 -13.729 -2.694 3.952 1.00 60.02 H new ATOM 0 HA GLU A 7 -12.640 -2.194 1.424 1.00 72.31 H new ATOM 0 HB2 GLU A 7 -12.924 -0.299 3.785 1.00 23.41 H new ATOM 0 HB3 GLU A 7 -12.671 0.176 2.118 1.00 23.41 H new ATOM 0 HG2 GLU A 7 -15.107 -1.394 3.061 1.00 43.20 H new ATOM 0 HG3 GLU A 7 -15.062 0.356 2.982 1.00 43.20 H new ATOM 105 N LYS A 8 -10.497 -1.680 3.941 1.00 14.01 N ATOM 106 CA LYS A 8 -9.062 -1.582 4.275 1.00 45.34 C ATOM 107 C LYS A 8 -8.325 -2.910 3.983 1.00 62.23 C ATOM 108 O LYS A 8 -7.167 -2.888 3.591 1.00 13.23 O ATOM 109 CB LYS A 8 -8.833 -1.158 5.753 1.00 24.25 C ATOM 110 CG LYS A 8 -9.296 0.284 6.112 1.00 31.10 C ATOM 111 CD LYS A 8 -10.798 0.401 6.455 1.00 14.24 C ATOM 112 CE LYS A 8 -11.157 -0.283 7.788 1.00 12.13 C ATOM 113 NZ LYS A 8 -10.418 0.282 8.952 1.00 45.44 N ATOM 0 H LYS A 8 -11.119 -1.604 4.746 1.00 14.01 H new ATOM 0 HA LYS A 8 -8.647 -0.803 3.635 1.00 45.34 H new ATOM 0 HB2 LYS A 8 -9.356 -1.861 6.401 1.00 24.25 H new ATOM 0 HB3 LYS A 8 -7.770 -1.247 5.979 1.00 24.25 H new ATOM 0 HG2 LYS A 8 -8.712 0.640 6.961 1.00 31.10 H new ATOM 0 HG3 LYS A 8 -9.074 0.944 5.273 1.00 31.10 H new ATOM 0 HD2 LYS A 8 -11.074 1.454 6.506 1.00 14.24 H new ATOM 0 HD3 LYS A 8 -11.386 -0.045 5.652 1.00 14.24 H new ATOM 0 HE2 LYS A 8 -12.228 -0.185 7.963 1.00 12.13 H new ATOM 0 HE3 LYS A 8 -10.943 -1.349 7.712 1.00 12.13 H new ATOM 0 HZ1 LYS A 8 -10.841 -0.069 9.835 1.00 45.44 H new ATOM 0 HZ2 LYS A 8 -9.421 -0.011 8.905 1.00 45.44 H new ATOM 0 HZ3 LYS A 8 -10.476 1.320 8.929 1.00 45.44 H new ATOM 127 N ARG A 9 -9.019 -4.053 4.163 1.00 62.02 N ATOM 128 CA ARG A 9 -8.446 -5.397 3.887 1.00 2.33 C ATOM 129 C ARG A 9 -8.146 -5.566 2.383 1.00 31.40 C ATOM 130 O ARG A 9 -7.176 -6.236 2.008 1.00 10.51 O ATOM 131 CB ARG A 9 -9.391 -6.522 4.396 1.00 63.24 C ATOM 132 CG ARG A 9 -9.542 -6.565 5.934 1.00 4.43 C ATOM 133 CD ARG A 9 -10.526 -7.646 6.419 1.00 1.21 C ATOM 134 NE ARG A 9 -10.072 -9.020 6.097 1.00 31.31 N ATOM 135 CZ ARG A 9 -10.137 -10.081 6.930 1.00 61.21 C ATOM 136 NH1 ARG A 9 -10.641 -9.966 8.154 1.00 52.12 N ATOM 137 NH2 ARG A 9 -9.705 -11.266 6.519 1.00 74.42 N ATOM 0 H ARG A 9 -9.982 -4.077 4.500 1.00 62.02 H new ATOM 0 HA ARG A 9 -7.505 -5.480 4.431 1.00 2.33 H new ATOM 0 HB2 ARG A 9 -10.375 -6.387 3.948 1.00 63.24 H new ATOM 0 HB3 ARG A 9 -9.013 -7.484 4.051 1.00 63.24 H new ATOM 0 HG2 ARG A 9 -8.565 -6.745 6.383 1.00 4.43 H new ATOM 0 HG3 ARG A 9 -9.881 -5.591 6.286 1.00 4.43 H new ATOM 0 HD2 ARG A 9 -10.657 -7.555 7.497 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -11.501 -7.474 5.964 1.00 1.21 H new ATOM 0 HE ARG A 9 -9.678 -9.177 5.169 1.00 31.31 H new ATOM 0 HH11 ARG A 9 -10.988 -9.064 8.480 1.00 52.12 H new ATOM 0 HH12 ARG A 9 -10.681 -10.780 8.768 1.00 52.12 H new ATOM 0 HH21 ARG A 9 -9.326 -11.372 5.578 1.00 74.42 H new ATOM 0 HH22 ARG A 9 -9.752 -12.071 7.144 1.00 74.42 H new ATOM 151 N GLN A 10 -8.993 -4.942 1.542 1.00 23.32 N ATOM 152 CA GLN A 10 -8.766 -4.842 0.092 1.00 71.42 C ATOM 153 C GLN A 10 -7.568 -3.921 -0.182 1.00 51.45 C ATOM 154 O GLN A 10 -6.651 -4.305 -0.890 1.00 5.03 O ATOM 155 CB GLN A 10 -10.033 -4.301 -0.641 1.00 53.52 C ATOM 156 CG GLN A 10 -11.243 -5.261 -0.665 1.00 10.51 C ATOM 157 CD GLN A 10 -12.501 -4.597 -1.242 1.00 54.11 C ATOM 158 OE1 GLN A 10 -12.744 -4.629 -2.450 1.00 12.24 O ATOM 159 NE2 GLN A 10 -13.299 -3.988 -0.379 1.00 32.43 N ATOM 0 H GLN A 10 -9.855 -4.493 1.852 1.00 23.32 H new ATOM 0 HA GLN A 10 -8.554 -5.840 -0.292 1.00 71.42 H new ATOM 0 HB2 GLN A 10 -10.339 -3.370 -0.164 1.00 53.52 H new ATOM 0 HB3 GLN A 10 -9.762 -4.059 -1.669 1.00 53.52 H new ATOM 0 HG2 GLN A 10 -10.994 -6.141 -1.258 1.00 10.51 H new ATOM 0 HG3 GLN A 10 -11.449 -5.607 0.348 1.00 10.51 H new ATOM 0 HE21 GLN A 10 -13.066 -3.982 0.614 1.00 32.43 H new ATOM 0 HE22 GLN A 10 -14.147 -3.525 -0.707 1.00 32.43 H new ATOM 168 N VAL A 11 -7.574 -2.726 0.440 1.00 62.13 N ATOM 169 CA VAL A 11 -6.608 -1.648 0.146 1.00 5.25 C ATOM 170 C VAL A 11 -5.153 -2.041 0.501 1.00 34.10 C ATOM 171 O VAL A 11 -4.248 -1.818 -0.298 1.00 25.03 O ATOM 172 CB VAL A 11 -7.010 -0.324 0.899 1.00 22.43 C ATOM 173 CG1 VAL A 11 -6.000 0.804 0.659 1.00 23.11 C ATOM 174 CG2 VAL A 11 -8.411 0.147 0.481 1.00 55.22 C ATOM 0 H VAL A 11 -8.251 -2.480 1.163 1.00 62.13 H new ATOM 0 HA VAL A 11 -6.644 -1.478 -0.930 1.00 5.25 H new ATOM 0 HB VAL A 11 -7.012 -0.561 1.963 1.00 22.43 H new ATOM 0 HG11 VAL A 11 -6.317 1.697 1.197 1.00 23.11 H new ATOM 0 HG12 VAL A 11 -5.018 0.495 1.016 1.00 23.11 H new ATOM 0 HG13 VAL A 11 -5.946 1.023 -0.407 1.00 23.11 H new ATOM 0 HG21 VAL A 11 -8.662 1.063 1.017 1.00 55.22 H new ATOM 0 HG22 VAL A 11 -8.425 0.339 -0.592 1.00 55.22 H new ATOM 0 HG23 VAL A 11 -9.141 -0.626 0.721 1.00 55.22 H new ATOM 184 N LYS A 12 -4.950 -2.623 1.700 1.00 24.31 N ATOM 185 CA LYS A 12 -3.614 -3.058 2.181 1.00 25.32 C ATOM 186 C LYS A 12 -3.063 -4.191 1.303 1.00 20.42 C ATOM 187 O LYS A 12 -1.853 -4.275 1.054 1.00 24.00 O ATOM 188 CB LYS A 12 -3.695 -3.546 3.648 1.00 73.50 C ATOM 189 CG LYS A 12 -4.173 -2.487 4.662 1.00 13.54 C ATOM 190 CD LYS A 12 -4.355 -3.075 6.079 1.00 53.44 C ATOM 191 CE LYS A 12 -5.455 -4.151 6.139 1.00 53.44 C ATOM 192 NZ LYS A 12 -5.629 -4.691 7.517 1.00 51.13 N ATOM 0 H LYS A 12 -5.702 -2.806 2.364 1.00 24.31 H new ATOM 0 HA LYS A 12 -2.944 -2.200 2.122 1.00 25.32 H new ATOM 0 HB2 LYS A 12 -4.369 -4.401 3.694 1.00 73.50 H new ATOM 0 HB3 LYS A 12 -2.710 -3.900 3.952 1.00 73.50 H new ATOM 0 HG2 LYS A 12 -3.452 -1.671 4.699 1.00 13.54 H new ATOM 0 HG3 LYS A 12 -5.118 -2.062 4.323 1.00 13.54 H new ATOM 0 HD2 LYS A 12 -3.411 -3.507 6.413 1.00 53.44 H new ATOM 0 HD3 LYS A 12 -4.601 -2.271 6.773 1.00 53.44 H new ATOM 0 HE2 LYS A 12 -6.398 -3.726 5.794 1.00 53.44 H new ATOM 0 HE3 LYS A 12 -5.204 -4.965 5.459 1.00 53.44 H new ATOM 0 HZ1 LYS A 12 -6.378 -5.412 7.515 1.00 51.13 H new ATOM 0 HZ2 LYS A 12 -4.737 -5.119 7.837 1.00 51.13 H new ATOM 0 HZ3 LYS A 12 -5.893 -3.919 8.162 1.00 51.13 H new ATOM 206 N GLN A 13 -3.984 -5.060 0.852 1.00 71.53 N ATOM 207 CA GLN A 13 -3.666 -6.179 -0.043 1.00 15.25 C ATOM 208 C GLN A 13 -3.217 -5.637 -1.409 1.00 64.21 C ATOM 209 O GLN A 13 -2.111 -5.921 -1.836 1.00 44.42 O ATOM 210 CB GLN A 13 -4.897 -7.110 -0.176 1.00 53.31 C ATOM 211 CG GLN A 13 -4.701 -8.342 -1.083 1.00 40.25 C ATOM 212 CD GLN A 13 -5.979 -9.180 -1.261 1.00 4.45 C ATOM 213 OE1 GLN A 13 -5.924 -10.406 -1.376 1.00 31.03 O ATOM 214 NE2 GLN A 13 -7.136 -8.520 -1.335 1.00 73.12 N ATOM 0 H GLN A 13 -4.972 -5.003 1.100 1.00 71.53 H new ATOM 0 HA GLN A 13 -2.846 -6.765 0.373 1.00 15.25 H new ATOM 0 HB2 GLN A 13 -5.180 -7.454 0.819 1.00 53.31 H new ATOM 0 HB3 GLN A 13 -5.733 -6.526 -0.561 1.00 53.31 H new ATOM 0 HG2 GLN A 13 -4.353 -8.012 -2.062 1.00 40.25 H new ATOM 0 HG3 GLN A 13 -3.918 -8.973 -0.662 1.00 40.25 H new ATOM 0 HE21 GLN A 13 -7.151 -7.505 -1.236 1.00 73.12 H new ATOM 0 HE22 GLN A 13 -8.005 -9.030 -1.490 1.00 73.12 H new ATOM 223 N VAL A 14 -4.067 -4.800 -2.044 1.00 24.10 N ATOM 224 CA VAL A 14 -3.754 -4.143 -3.337 1.00 51.11 C ATOM 225 C VAL A 14 -2.404 -3.406 -3.243 1.00 53.45 C ATOM 226 O VAL A 14 -1.548 -3.539 -4.121 1.00 51.34 O ATOM 227 CB VAL A 14 -4.899 -3.133 -3.765 1.00 3.10 C ATOM 228 CG1 VAL A 14 -4.527 -2.328 -5.036 1.00 72.23 C ATOM 229 CG2 VAL A 14 -6.250 -3.865 -3.960 1.00 3.25 C ATOM 0 H VAL A 14 -4.988 -4.560 -1.677 1.00 24.10 H new ATOM 0 HA VAL A 14 -3.688 -4.918 -4.101 1.00 51.11 H new ATOM 0 HB VAL A 14 -5.008 -2.420 -2.948 1.00 3.10 H new ATOM 0 HG11 VAL A 14 -5.342 -1.650 -5.289 1.00 72.23 H new ATOM 0 HG12 VAL A 14 -3.621 -1.752 -4.849 1.00 72.23 H new ATOM 0 HG13 VAL A 14 -4.356 -3.015 -5.865 1.00 72.23 H new ATOM 0 HG21 VAL A 14 -7.015 -3.146 -4.253 1.00 3.25 H new ATOM 0 HG22 VAL A 14 -6.145 -4.621 -4.739 1.00 3.25 H new ATOM 0 HG23 VAL A 14 -6.542 -4.345 -3.026 1.00 3.25 H new ATOM 239 N ALA A 15 -2.214 -2.710 -2.112 1.00 54.23 N ATOM 240 CA ALA A 15 -1.005 -1.933 -1.820 1.00 75.30 C ATOM 241 C ALA A 15 0.258 -2.813 -1.838 1.00 75.34 C ATOM 242 O ALA A 15 1.274 -2.444 -2.451 1.00 32.30 O ATOM 243 CB ALA A 15 -1.163 -1.238 -0.459 1.00 52.42 C ATOM 0 H ALA A 15 -2.908 -2.672 -1.365 1.00 54.23 H new ATOM 0 HA ALA A 15 -0.881 -1.182 -2.601 1.00 75.30 H new ATOM 0 HB1 ALA A 15 -0.266 -0.660 -0.239 1.00 52.42 H new ATOM 0 HB2 ALA A 15 -2.026 -0.572 -0.488 1.00 52.42 H new ATOM 0 HB3 ALA A 15 -1.310 -1.988 0.318 1.00 52.42 H new ATOM 249 N LYS A 16 0.170 -3.996 -1.197 1.00 0.44 N ATOM 250 CA LYS A 16 1.306 -4.925 -1.111 1.00 41.15 C ATOM 251 C LYS A 16 1.538 -5.631 -2.454 1.00 60.05 C ATOM 252 O LYS A 16 2.671 -5.973 -2.763 1.00 60.12 O ATOM 253 CB LYS A 16 1.145 -5.959 0.045 1.00 34.01 C ATOM 254 CG LYS A 16 0.141 -7.102 -0.188 1.00 20.24 C ATOM 255 CD LYS A 16 0.249 -8.219 0.872 1.00 3.04 C ATOM 256 CE LYS A 16 1.610 -8.934 0.817 1.00 52.41 C ATOM 257 NZ LYS A 16 1.701 -10.013 1.832 1.00 30.52 N ATOM 0 H LYS A 16 -0.676 -4.327 -0.733 1.00 0.44 H new ATOM 0 HA LYS A 16 2.187 -4.328 -0.877 1.00 41.15 H new ATOM 0 HB2 LYS A 16 2.122 -6.399 0.247 1.00 34.01 H new ATOM 0 HB3 LYS A 16 0.846 -5.421 0.944 1.00 34.01 H new ATOM 0 HG2 LYS A 16 -0.871 -6.697 -0.181 1.00 20.24 H new ATOM 0 HG3 LYS A 16 0.307 -7.529 -1.177 1.00 20.24 H new ATOM 0 HD2 LYS A 16 0.103 -7.793 1.864 1.00 3.04 H new ATOM 0 HD3 LYS A 16 -0.549 -8.945 0.716 1.00 3.04 H new ATOM 0 HE2 LYS A 16 1.761 -9.355 -0.177 1.00 52.41 H new ATOM 0 HE3 LYS A 16 2.409 -8.211 0.981 1.00 52.41 H new ATOM 0 HZ1 LYS A 16 2.631 -10.474 1.767 1.00 30.52 H new ATOM 0 HZ2 LYS A 16 1.582 -9.607 2.782 1.00 30.52 H new ATOM 0 HZ3 LYS A 16 0.954 -10.716 1.660 1.00 30.52 H new ATOM 271 N GLU A 17 0.458 -5.807 -3.258 1.00 73.24 N ATOM 272 CA GLU A 17 0.551 -6.411 -4.605 1.00 10.21 C ATOM 273 C GLU A 17 1.361 -5.499 -5.539 1.00 65.12 C ATOM 274 O GLU A 17 2.111 -5.977 -6.395 1.00 21.14 O ATOM 275 CB GLU A 17 -0.852 -6.674 -5.231 1.00 63.32 C ATOM 276 CG GLU A 17 -1.805 -7.560 -4.405 1.00 50.31 C ATOM 277 CD GLU A 17 -1.228 -8.939 -4.030 1.00 51.22 C ATOM 278 OE1 GLU A 17 -1.258 -9.844 -4.885 1.00 44.02 O ATOM 279 OE2 GLU A 17 -0.755 -9.118 -2.883 1.00 51.45 O ATOM 0 H GLU A 17 -0.489 -5.537 -2.992 1.00 73.24 H new ATOM 0 HA GLU A 17 1.053 -7.372 -4.491 1.00 10.21 H new ATOM 0 HB2 GLU A 17 -1.338 -5.713 -5.402 1.00 63.32 H new ATOM 0 HB3 GLU A 17 -0.711 -7.138 -6.207 1.00 63.32 H new ATOM 0 HG2 GLU A 17 -2.072 -7.031 -3.490 1.00 50.31 H new ATOM 0 HG3 GLU A 17 -2.726 -7.706 -4.969 1.00 50.31 H new ATOM 286 N LYS A 18 1.195 -4.175 -5.347 1.00 11.15 N ATOM 287 CA LYS A 18 1.915 -3.147 -6.122 1.00 35.33 C ATOM 288 C LYS A 18 3.385 -3.067 -5.693 1.00 10.33 C ATOM 289 O LYS A 18 4.265 -2.731 -6.491 1.00 24.23 O ATOM 290 CB LYS A 18 1.244 -1.758 -5.954 1.00 61.01 C ATOM 291 CG LYS A 18 -0.258 -1.701 -6.290 1.00 51.01 C ATOM 292 CD LYS A 18 -0.643 -2.350 -7.641 1.00 13.14 C ATOM 293 CE LYS A 18 0.022 -1.689 -8.859 1.00 71.52 C ATOM 294 NZ LYS A 18 -0.309 -2.414 -10.122 1.00 41.42 N ATOM 0 H LYS A 18 0.558 -3.789 -4.650 1.00 11.15 H new ATOM 0 HA LYS A 18 1.871 -3.435 -7.172 1.00 35.33 H new ATOM 0 HB2 LYS A 18 1.380 -1.431 -4.923 1.00 61.01 H new ATOM 0 HB3 LYS A 18 1.767 -1.042 -6.588 1.00 61.01 H new ATOM 0 HG2 LYS A 18 -0.814 -2.196 -5.493 1.00 51.01 H new ATOM 0 HG3 LYS A 18 -0.575 -0.658 -6.300 1.00 51.01 H new ATOM 0 HD2 LYS A 18 -0.370 -3.405 -7.618 1.00 13.14 H new ATOM 0 HD3 LYS A 18 -1.725 -2.304 -7.760 1.00 13.14 H new ATOM 0 HE2 LYS A 18 -0.306 -0.652 -8.936 1.00 71.52 H new ATOM 0 HE3 LYS A 18 1.103 -1.672 -8.720 1.00 71.52 H new ATOM 0 HZ1 LYS A 18 0.155 -1.943 -10.925 1.00 41.42 H new ATOM 0 HZ2 LYS A 18 0.026 -3.396 -10.056 1.00 41.42 H new ATOM 0 HZ3 LYS A 18 -1.339 -2.408 -10.266 1.00 41.42 H new ATOM 308 N LEU A 19 3.629 -3.361 -4.415 1.00 0.23 N ATOM 309 CA LEU A 19 4.984 -3.482 -3.870 1.00 61.20 C ATOM 310 C LEU A 19 5.652 -4.801 -4.324 1.00 70.30 C ATOM 311 O LEU A 19 6.878 -4.870 -4.442 1.00 40.14 O ATOM 312 CB LEU A 19 4.941 -3.330 -2.325 1.00 32.54 C ATOM 313 CG LEU A 19 4.629 -1.889 -1.791 1.00 41.10 C ATOM 314 CD1 LEU A 19 4.811 -1.804 -0.265 1.00 71.10 C ATOM 315 CD2 LEU A 19 5.485 -0.819 -2.505 1.00 73.24 C ATOM 0 H LEU A 19 2.893 -3.522 -3.727 1.00 0.23 H new ATOM 0 HA LEU A 19 5.606 -2.678 -4.264 1.00 61.20 H new ATOM 0 HB2 LEU A 19 4.189 -4.014 -1.932 1.00 32.54 H new ATOM 0 HB3 LEU A 19 5.902 -3.647 -1.920 1.00 32.54 H new ATOM 0 HG LEU A 19 3.583 -1.683 -2.018 1.00 41.10 H new ATOM 0 HD11 LEU A 19 4.587 -0.792 0.072 1.00 71.10 H new ATOM 0 HD12 LEU A 19 4.135 -2.507 0.222 1.00 71.10 H new ATOM 0 HD13 LEU A 19 5.840 -2.053 -0.007 1.00 71.10 H new ATOM 0 HD21 LEU A 19 5.241 0.166 -2.108 1.00 73.24 H new ATOM 0 HD22 LEU A 19 6.542 -1.026 -2.336 1.00 73.24 H new ATOM 0 HD23 LEU A 19 5.277 -0.841 -3.575 1.00 73.24 H new ATOM 327 N LEU A 20 4.827 -5.826 -4.616 1.00 4.04 N ATOM 328 CA LEU A 20 5.293 -7.098 -5.209 1.00 3.15 C ATOM 329 C LEU A 20 5.550 -6.929 -6.727 1.00 15.11 C ATOM 330 O LEU A 20 6.249 -7.737 -7.336 1.00 5.01 O ATOM 331 CB LEU A 20 4.272 -8.238 -4.924 1.00 0.42 C ATOM 332 CG LEU A 20 4.107 -8.653 -3.418 1.00 53.40 C ATOM 333 CD1 LEU A 20 2.903 -9.603 -3.211 1.00 42.42 C ATOM 334 CD2 LEU A 20 5.413 -9.259 -2.852 1.00 55.22 C ATOM 0 H LEU A 20 3.821 -5.797 -4.448 1.00 4.04 H new ATOM 0 HA LEU A 20 6.239 -7.376 -4.744 1.00 3.15 H new ATOM 0 HB2 LEU A 20 3.298 -7.930 -5.304 1.00 0.42 H new ATOM 0 HB3 LEU A 20 4.572 -9.118 -5.492 1.00 0.42 H new ATOM 0 HG LEU A 20 3.897 -7.744 -2.855 1.00 53.40 H new ATOM 0 HD11 LEU A 20 2.824 -9.866 -2.156 1.00 42.42 H new ATOM 0 HD12 LEU A 20 1.987 -9.105 -3.530 1.00 42.42 H new ATOM 0 HD13 LEU A 20 3.048 -10.508 -3.801 1.00 42.42 H new ATOM 0 HD21 LEU A 20 5.264 -9.535 -1.808 1.00 55.22 H new ATOM 0 HD22 LEU A 20 5.682 -10.145 -3.427 1.00 55.22 H new ATOM 0 HD23 LEU A 20 6.215 -8.524 -2.922 1.00 55.22 H new ATOM 346 N GLU A 21 4.971 -5.874 -7.330 1.00 13.12 N ATOM 347 CA GLU A 21 5.290 -5.463 -8.720 1.00 54.42 C ATOM 348 C GLU A 21 6.713 -4.885 -8.798 1.00 35.24 C ATOM 349 O GLU A 21 7.437 -5.117 -9.772 1.00 34.02 O ATOM 350 CB GLU A 21 4.265 -4.419 -9.237 1.00 61.40 C ATOM 351 CG GLU A 21 2.838 -4.957 -9.421 1.00 44.24 C ATOM 352 CD GLU A 21 2.728 -6.025 -10.524 1.00 53.02 C ATOM 353 OE1 GLU A 21 2.921 -7.229 -10.234 1.00 23.32 O ATOM 354 OE2 GLU A 21 2.452 -5.664 -11.687 1.00 74.20 O ATOM 0 H GLU A 21 4.274 -5.284 -6.876 1.00 13.12 H new ATOM 0 HA GLU A 21 5.233 -6.348 -9.354 1.00 54.42 H new ATOM 0 HB2 GLU A 21 4.236 -3.582 -8.539 1.00 61.40 H new ATOM 0 HB3 GLU A 21 4.617 -4.026 -10.191 1.00 61.40 H new ATOM 0 HG2 GLU A 21 2.493 -5.381 -8.478 1.00 44.24 H new ATOM 0 HG3 GLU A 21 2.172 -4.128 -9.660 1.00 44.24 H new ATOM 361 N GLN A 22 7.090 -4.128 -7.757 1.00 34.32 N ATOM 362 CA GLN A 22 8.438 -3.548 -7.632 1.00 3.43 C ATOM 363 C GLN A 22 9.455 -4.627 -7.202 1.00 35.32 C ATOM 364 O GLN A 22 10.609 -4.614 -7.646 1.00 61.21 O ATOM 365 CB GLN A 22 8.430 -2.371 -6.620 1.00 74.23 C ATOM 366 CG GLN A 22 7.471 -1.218 -6.993 1.00 44.01 C ATOM 367 CD GLN A 22 7.504 -0.015 -6.030 1.00 51.14 C ATOM 368 OE1 GLN A 22 7.275 1.124 -6.438 1.00 50.31 O ATOM 369 NE2 GLN A 22 7.759 -0.254 -4.746 1.00 15.33 N ATOM 0 H GLN A 22 6.471 -3.900 -6.979 1.00 34.32 H new ATOM 0 HA GLN A 22 8.739 -3.163 -8.606 1.00 3.43 H new ATOM 0 HB2 GLN A 22 8.154 -2.754 -5.637 1.00 74.23 H new ATOM 0 HB3 GLN A 22 9.441 -1.974 -6.535 1.00 74.23 H new ATOM 0 HG2 GLN A 22 7.717 -0.870 -7.996 1.00 44.01 H new ATOM 0 HG3 GLN A 22 6.454 -1.608 -7.031 1.00 44.01 H new ATOM 0 HE21 GLN A 22 7.946 -1.206 -4.432 1.00 15.33 H new ATOM 0 HE22 GLN A 22 7.768 0.515 -4.076 1.00 15.33 H new ATOM 378 N SER A 23 8.999 -5.566 -6.349 1.00 41.23 N ATOM 379 CA SER A 23 9.850 -6.621 -5.782 1.00 11.22 C ATOM 380 C SER A 23 8.978 -7.814 -5.306 1.00 14.31 C ATOM 381 O SER A 23 8.436 -7.782 -4.195 1.00 40.13 O ATOM 382 CB SER A 23 10.699 -6.049 -4.617 1.00 60.22 C ATOM 383 OG SER A 23 11.563 -7.029 -4.079 1.00 4.01 O ATOM 0 H SER A 23 8.029 -5.611 -6.036 1.00 41.23 H new ATOM 0 HA SER A 23 10.530 -6.986 -6.552 1.00 11.22 H new ATOM 0 HB2 SER A 23 11.285 -5.202 -4.974 1.00 60.22 H new ATOM 0 HB3 SER A 23 10.040 -5.674 -3.834 1.00 60.22 H new ATOM 0 HG SER A 23 12.195 -6.605 -3.462 1.00 4.01 H new ATOM 389 N PRO A 24 8.812 -8.889 -6.155 1.00 21.24 N ATOM 390 CA PRO A 24 7.962 -10.065 -5.820 1.00 62.33 C ATOM 391 C PRO A 24 8.639 -11.047 -4.846 1.00 44.24 C ATOM 392 O PRO A 24 7.975 -11.901 -4.249 1.00 52.32 O ATOM 393 CB PRO A 24 7.731 -10.718 -7.205 1.00 22.45 C ATOM 394 CG PRO A 24 8.968 -10.401 -7.989 1.00 30.41 C ATOM 395 CD PRO A 24 9.423 -9.030 -7.515 1.00 31.44 C ATOM 0 HA PRO A 24 7.047 -9.778 -5.303 1.00 62.33 H new ATOM 0 HB2 PRO A 24 7.585 -11.794 -7.115 1.00 22.45 H new ATOM 0 HB3 PRO A 24 6.842 -10.315 -7.689 1.00 22.45 H new ATOM 0 HG2 PRO A 24 9.741 -11.150 -7.818 1.00 30.41 H new ATOM 0 HG3 PRO A 24 8.761 -10.395 -9.059 1.00 30.41 H new ATOM 0 HD2 PRO A 24 10.510 -8.964 -7.472 1.00 31.44 H new ATOM 0 HD3 PRO A 24 9.083 -8.243 -8.188 1.00 31.44 H new ATOM 403 N ASN A 25 9.965 -10.903 -4.694 1.00 40.11 N ATOM 404 CA ASN A 25 10.806 -11.820 -3.902 1.00 33.13 C ATOM 405 C ASN A 25 10.882 -11.383 -2.433 1.00 15.12 C ATOM 406 O ASN A 25 11.199 -12.189 -1.555 1.00 60.44 O ATOM 407 CB ASN A 25 12.228 -11.857 -4.516 1.00 63.44 C ATOM 408 CG ASN A 25 12.228 -12.293 -5.986 1.00 12.21 C ATOM 409 OD1 ASN A 25 12.073 -11.466 -6.888 1.00 51.35 O ATOM 410 ND2 ASN A 25 12.410 -13.584 -6.242 1.00 13.04 N ATOM 0 H ASN A 25 10.490 -10.140 -5.121 1.00 40.11 H new ATOM 0 HA ASN A 25 10.359 -12.814 -3.929 1.00 33.13 H new ATOM 0 HB2 ASN A 25 12.680 -10.868 -4.435 1.00 63.44 H new ATOM 0 HB3 ASN A 25 12.851 -12.541 -3.939 1.00 63.44 H new ATOM 0 HD21 ASN A 25 12.424 -13.916 -7.206 1.00 13.04 H new ATOM 0 HD22 ASN A 25 12.535 -14.243 -5.474 1.00 13.04 H new ATOM 417 N SER A 26 10.584 -10.098 -2.182 1.00 61.14 N ATOM 418 CA SER A 26 10.763 -9.466 -0.860 1.00 51.11 C ATOM 419 C SER A 26 9.597 -9.746 0.093 1.00 5.43 C ATOM 420 O SER A 26 8.489 -10.080 -0.337 1.00 40.40 O ATOM 421 CB SER A 26 10.901 -7.947 -1.034 1.00 74.12 C ATOM 422 OG SER A 26 9.746 -7.388 -1.627 1.00 43.44 O ATOM 0 H SER A 26 10.211 -9.465 -2.890 1.00 61.14 H new ATOM 0 HA SER A 26 11.663 -9.896 -0.421 1.00 51.11 H new ATOM 0 HB2 SER A 26 11.074 -7.482 -0.063 1.00 74.12 H new ATOM 0 HB3 SER A 26 11.771 -7.728 -1.652 1.00 74.12 H new ATOM 0 HG SER A 26 9.696 -7.660 -2.567 1.00 43.44 H new ATOM 428 N LYS A 27 9.868 -9.603 1.399 1.00 72.13 N ATOM 429 CA LYS A 27 8.823 -9.573 2.421 1.00 51.33 C ATOM 430 C LYS A 27 8.208 -8.168 2.483 1.00 14.41 C ATOM 431 O LYS A 27 8.924 -7.184 2.709 1.00 13.33 O ATOM 432 CB LYS A 27 9.396 -9.987 3.808 1.00 42.13 C ATOM 433 CG LYS A 27 8.411 -9.865 4.998 1.00 4.13 C ATOM 434 CD LYS A 27 7.095 -10.651 4.798 1.00 10.33 C ATOM 435 CE LYS A 27 7.300 -12.168 4.674 1.00 10.32 C ATOM 436 NZ LYS A 27 6.012 -12.889 4.507 1.00 74.25 N ATOM 0 H LYS A 27 10.813 -9.506 1.770 1.00 72.13 H new ATOM 0 HA LYS A 27 8.046 -10.290 2.156 1.00 51.33 H new ATOM 0 HB2 LYS A 27 9.739 -11.020 3.747 1.00 42.13 H new ATOM 0 HB3 LYS A 27 10.271 -9.372 4.019 1.00 42.13 H new ATOM 0 HG2 LYS A 27 8.903 -10.221 5.903 1.00 4.13 H new ATOM 0 HG3 LYS A 27 8.175 -8.813 5.156 1.00 4.13 H new ATOM 0 HD2 LYS A 27 6.430 -10.450 5.638 1.00 10.33 H new ATOM 0 HD3 LYS A 27 6.595 -10.285 3.901 1.00 10.33 H new ATOM 0 HE2 LYS A 27 7.947 -12.379 3.822 1.00 10.32 H new ATOM 0 HE3 LYS A 27 7.811 -12.539 5.562 1.00 10.32 H new ATOM 0 HZ1 LYS A 27 6.193 -13.910 4.427 1.00 74.25 H new ATOM 0 HZ2 LYS A 27 5.404 -12.709 5.331 1.00 74.25 H new ATOM 0 HZ3 LYS A 27 5.536 -12.554 3.646 1.00 74.25 H new ATOM 450 N VAL A 28 6.890 -8.091 2.246 1.00 22.03 N ATOM 451 CA VAL A 28 6.111 -6.861 2.419 1.00 4.15 C ATOM 452 C VAL A 28 5.176 -7.048 3.630 1.00 51.25 C ATOM 453 O VAL A 28 4.275 -7.898 3.599 1.00 45.34 O ATOM 454 CB VAL A 28 5.260 -6.507 1.136 1.00 23.12 C ATOM 455 CG1 VAL A 28 4.550 -5.142 1.302 1.00 71.40 C ATOM 456 CG2 VAL A 28 6.130 -6.542 -0.147 1.00 74.21 C ATOM 0 H VAL A 28 6.334 -8.885 1.928 1.00 22.03 H new ATOM 0 HA VAL A 28 6.801 -6.033 2.581 1.00 4.15 H new ATOM 0 HB VAL A 28 4.490 -7.270 1.025 1.00 23.12 H new ATOM 0 HG11 VAL A 28 3.971 -4.922 0.405 1.00 71.40 H new ATOM 0 HG12 VAL A 28 3.884 -5.181 2.164 1.00 71.40 H new ATOM 0 HG13 VAL A 28 5.295 -4.361 1.454 1.00 71.40 H new ATOM 0 HG21 VAL A 28 5.514 -6.294 -1.011 1.00 74.21 H new ATOM 0 HG22 VAL A 28 6.939 -5.817 -0.058 1.00 74.21 H new ATOM 0 HG23 VAL A 28 6.550 -7.540 -0.275 1.00 74.21 H new ATOM 466 N GLN A 29 5.415 -6.275 4.693 1.00 2.41 N ATOM 467 CA GLN A 29 4.590 -6.269 5.918 1.00 42.22 C ATOM 468 C GLN A 29 3.803 -4.950 5.977 1.00 44.04 C ATOM 469 O GLN A 29 4.313 -3.928 5.542 1.00 42.41 O ATOM 470 CB GLN A 29 5.520 -6.411 7.162 1.00 73.35 C ATOM 471 CG GLN A 29 4.821 -6.265 8.537 1.00 20.21 C ATOM 472 CD GLN A 29 3.744 -7.323 8.809 1.00 4.21 C ATOM 473 OE1 GLN A 29 3.859 -8.474 8.393 1.00 24.13 O ATOM 474 NE2 GLN A 29 2.675 -6.932 9.484 1.00 53.41 N ATOM 0 H GLN A 29 6.198 -5.623 4.733 1.00 2.41 H new ATOM 0 HA GLN A 29 3.888 -7.103 5.911 1.00 42.22 H new ATOM 0 HB2 GLN A 29 6.005 -7.386 7.122 1.00 73.35 H new ATOM 0 HB3 GLN A 29 6.308 -5.661 7.093 1.00 73.35 H new ATOM 0 HG2 GLN A 29 5.574 -6.319 9.323 1.00 20.21 H new ATOM 0 HG3 GLN A 29 4.367 -5.276 8.598 1.00 20.21 H new ATOM 0 HE21 GLN A 29 2.606 -5.971 9.818 1.00 53.41 H new ATOM 0 HE22 GLN A 29 1.920 -7.592 9.671 1.00 53.41 H new ATOM 483 N VAL A 30 2.568 -4.968 6.505 1.00 1.54 N ATOM 484 CA VAL A 30 1.808 -3.726 6.758 1.00 60.21 C ATOM 485 C VAL A 30 2.443 -2.966 7.950 1.00 14.44 C ATOM 486 O VAL A 30 2.701 -3.563 9.010 1.00 73.03 O ATOM 487 CB VAL A 30 0.278 -4.010 7.021 1.00 15.23 C ATOM 488 CG1 VAL A 30 0.055 -4.951 8.230 1.00 33.43 C ATOM 489 CG2 VAL A 30 -0.516 -2.683 7.167 1.00 5.25 C ATOM 0 H VAL A 30 2.074 -5.822 6.765 1.00 1.54 H new ATOM 0 HA VAL A 30 1.861 -3.106 5.863 1.00 60.21 H new ATOM 0 HB VAL A 30 -0.109 -4.536 6.148 1.00 15.23 H new ATOM 0 HG11 VAL A 30 -1.013 -5.116 8.370 1.00 33.43 H new ATOM 0 HG12 VAL A 30 0.548 -5.905 8.044 1.00 33.43 H new ATOM 0 HG13 VAL A 30 0.473 -4.495 9.128 1.00 33.43 H new ATOM 0 HG21 VAL A 30 -1.568 -2.906 7.348 1.00 5.25 H new ATOM 0 HG22 VAL A 30 -0.117 -2.111 8.005 1.00 5.25 H new ATOM 0 HG23 VAL A 30 -0.421 -2.100 6.251 1.00 5.25 H new ATOM 499 N ARG A 31 2.750 -1.674 7.752 1.00 2.21 N ATOM 500 CA ARG A 31 3.346 -0.828 8.802 1.00 53.21 C ATOM 501 C ARG A 31 2.242 -0.034 9.533 1.00 22.40 C ATOM 502 O ARG A 31 2.003 -0.243 10.727 1.00 42.53 O ATOM 503 CB ARG A 31 4.411 0.126 8.176 1.00 30.12 C ATOM 504 CG ARG A 31 5.101 1.075 9.182 1.00 14.40 C ATOM 505 CD ARG A 31 5.958 0.337 10.231 1.00 43.23 C ATOM 506 NE ARG A 31 6.346 1.235 11.336 1.00 5.40 N ATOM 507 CZ ARG A 31 7.574 1.339 11.868 1.00 42.33 C ATOM 508 NH1 ARG A 31 8.593 0.609 11.415 1.00 35.15 N ATOM 509 NH2 ARG A 31 7.786 2.203 12.851 1.00 73.52 N ATOM 0 H ARG A 31 2.594 -1.189 6.868 1.00 2.21 H new ATOM 0 HA ARG A 31 3.847 -1.460 9.535 1.00 53.21 H new ATOM 0 HB2 ARG A 31 5.174 -0.477 7.684 1.00 30.12 H new ATOM 0 HB3 ARG A 31 3.931 0.726 7.402 1.00 30.12 H new ATOM 0 HG2 ARG A 31 5.732 1.775 8.635 1.00 14.40 H new ATOM 0 HG3 ARG A 31 4.341 1.665 9.694 1.00 14.40 H new ATOM 0 HD2 ARG A 31 5.400 -0.511 10.628 1.00 43.23 H new ATOM 0 HD3 ARG A 31 6.853 -0.065 9.755 1.00 43.23 H new ATOM 0 HE ARG A 31 5.617 1.829 11.730 1.00 5.40 H new ATOM 0 HH11 ARG A 31 8.449 -0.047 10.647 1.00 35.15 H new ATOM 0 HH12 ARG A 31 9.517 0.706 11.836 1.00 35.15 H new ATOM 0 HH21 ARG A 31 7.020 2.781 13.196 1.00 73.52 H new ATOM 0 HH22 ARG A 31 8.715 2.290 13.262 1.00 73.52 H new ATOM 523 N ARG A 32 1.531 0.830 8.786 1.00 53.31 N ATOM 524 CA ARG A 32 0.462 1.713 9.322 1.00 71.40 C ATOM 525 C ARG A 32 -0.571 2.015 8.212 1.00 20.42 C ATOM 526 O ARG A 32 -0.280 1.830 7.029 1.00 63.21 O ATOM 527 CB ARG A 32 1.051 3.043 9.912 1.00 63.00 C ATOM 528 CG ARG A 32 1.752 2.949 11.297 1.00 23.35 C ATOM 529 CD ARG A 32 0.776 2.660 12.463 1.00 1.01 C ATOM 530 NE ARG A 32 0.269 1.269 12.473 1.00 40.23 N ATOM 531 CZ ARG A 32 -1.035 0.905 12.476 1.00 14.41 C ATOM 532 NH1 ARG A 32 -2.000 1.816 12.447 1.00 21.33 N ATOM 533 NH2 ARG A 32 -1.364 -0.382 12.477 1.00 20.52 N ATOM 0 H ARG A 32 1.679 0.941 7.783 1.00 53.31 H new ATOM 0 HA ARG A 32 -0.034 1.191 10.140 1.00 71.40 H new ATOM 0 HB2 ARG A 32 1.768 3.444 9.195 1.00 63.00 H new ATOM 0 HB3 ARG A 32 0.240 3.767 9.991 1.00 63.00 H new ATOM 0 HG2 ARG A 32 2.506 2.163 11.261 1.00 23.35 H new ATOM 0 HG3 ARG A 32 2.276 3.884 11.495 1.00 23.35 H new ATOM 0 HD2 ARG A 32 1.280 2.862 13.408 1.00 1.01 H new ATOM 0 HD3 ARG A 32 -0.068 3.346 12.399 1.00 1.01 H new ATOM 0 HE ARG A 32 0.962 0.520 12.478 1.00 40.23 H new ATOM 0 HH11 ARG A 32 -1.764 2.808 12.422 1.00 21.33 H new ATOM 0 HH12 ARG A 32 -2.977 1.524 12.450 1.00 21.33 H new ATOM 0 HH21 ARG A 32 -0.634 -1.095 12.476 1.00 20.52 H new ATOM 0 HH22 ARG A 32 -2.346 -0.657 12.479 1.00 20.52 H new ATOM 547 N VAL A 33 -1.784 2.468 8.611 1.00 61.34 N ATOM 548 CA VAL A 33 -2.918 2.745 7.679 1.00 55.35 C ATOM 549 C VAL A 33 -3.621 4.064 8.084 1.00 63.21 C ATOM 550 O VAL A 33 -4.149 4.175 9.199 1.00 71.02 O ATOM 551 CB VAL A 33 -3.983 1.564 7.675 1.00 30.45 C ATOM 552 CG1 VAL A 33 -5.187 1.878 6.748 1.00 24.53 C ATOM 553 CG2 VAL A 33 -3.328 0.224 7.279 1.00 45.21 C ATOM 0 H VAL A 33 -2.010 2.654 9.588 1.00 61.34 H new ATOM 0 HA VAL A 33 -2.503 2.832 6.675 1.00 55.35 H new ATOM 0 HB VAL A 33 -4.363 1.472 8.692 1.00 30.45 H new ATOM 0 HG11 VAL A 33 -5.892 1.047 6.773 1.00 24.53 H new ATOM 0 HG12 VAL A 33 -5.684 2.785 7.091 1.00 24.53 H new ATOM 0 HG13 VAL A 33 -4.832 2.022 5.727 1.00 24.53 H new ATOM 0 HG21 VAL A 33 -4.080 -0.565 7.285 1.00 45.21 H new ATOM 0 HG22 VAL A 33 -2.900 0.309 6.280 1.00 45.21 H new ATOM 0 HG23 VAL A 33 -2.540 -0.021 7.992 1.00 45.21 H new ATOM 563 N GLN A 34 -3.625 5.058 7.169 1.00 44.44 N ATOM 564 CA GLN A 34 -4.224 6.390 7.395 1.00 45.22 C ATOM 565 C GLN A 34 -5.321 6.648 6.346 1.00 11.52 C ATOM 566 O GLN A 34 -5.019 6.783 5.159 1.00 32.13 O ATOM 567 CB GLN A 34 -3.139 7.513 7.311 1.00 52.40 C ATOM 568 CG GLN A 34 -1.954 7.354 8.286 1.00 63.53 C ATOM 569 CD GLN A 34 -0.897 6.351 7.831 1.00 2.01 C ATOM 570 OE1 GLN A 34 -0.648 6.171 6.641 1.00 71.13 O ATOM 571 NE2 GLN A 34 -0.287 5.684 8.773 1.00 12.54 N ATOM 0 H GLN A 34 -3.208 4.956 6.244 1.00 44.44 H new ATOM 0 HA GLN A 34 -4.659 6.408 8.394 1.00 45.22 H new ATOM 0 HB2 GLN A 34 -2.750 7.545 6.293 1.00 52.40 H new ATOM 0 HB3 GLN A 34 -3.618 8.474 7.500 1.00 52.40 H new ATOM 0 HG2 GLN A 34 -1.480 8.326 8.425 1.00 63.53 H new ATOM 0 HG3 GLN A 34 -2.337 7.044 9.258 1.00 63.53 H new ATOM 0 HE21 GLN A 34 -0.517 5.857 9.751 1.00 12.54 H new ATOM 0 HE22 GLN A 34 0.420 4.990 8.530 1.00 12.54 H new ATOM 580 N LYS A 35 -6.586 6.713 6.783 1.00 13.31 N ATOM 581 CA LYS A 35 -7.728 6.990 5.891 1.00 22.32 C ATOM 582 C LYS A 35 -7.834 8.523 5.707 1.00 52.54 C ATOM 583 O LYS A 35 -8.261 9.239 6.620 1.00 51.31 O ATOM 584 CB LYS A 35 -9.016 6.349 6.517 1.00 51.40 C ATOM 585 CG LYS A 35 -10.211 6.094 5.556 1.00 20.23 C ATOM 586 CD LYS A 35 -11.075 7.344 5.262 1.00 70.45 C ATOM 587 CE LYS A 35 -12.268 7.021 4.337 1.00 25.33 C ATOM 588 NZ LYS A 35 -13.181 8.186 4.150 1.00 71.43 N ATOM 0 H LYS A 35 -6.849 6.576 7.759 1.00 13.31 H new ATOM 0 HA LYS A 35 -7.599 6.549 4.902 1.00 22.32 H new ATOM 0 HB2 LYS A 35 -8.736 5.398 6.970 1.00 51.40 H new ATOM 0 HB3 LYS A 35 -9.361 6.997 7.323 1.00 51.40 H new ATOM 0 HG2 LYS A 35 -9.826 5.704 4.614 1.00 20.23 H new ATOM 0 HG3 LYS A 35 -10.848 5.320 5.985 1.00 20.23 H new ATOM 0 HD2 LYS A 35 -11.446 7.757 6.200 1.00 70.45 H new ATOM 0 HD3 LYS A 35 -10.455 8.112 4.799 1.00 70.45 H new ATOM 0 HE2 LYS A 35 -11.893 6.699 3.366 1.00 25.33 H new ATOM 0 HE3 LYS A 35 -12.831 6.186 4.754 1.00 25.33 H new ATOM 0 HZ1 LYS A 35 -14.153 7.846 4.005 1.00 71.43 H new ATOM 0 HZ2 LYS A 35 -13.149 8.792 4.995 1.00 71.43 H new ATOM 0 HZ3 LYS A 35 -12.879 8.734 3.319 1.00 71.43 H new ATOM 602 N GLN A 36 -7.420 9.013 4.527 1.00 71.51 N ATOM 603 CA GLN A 36 -7.312 10.459 4.230 1.00 1.23 C ATOM 604 C GLN A 36 -8.275 10.841 3.079 1.00 60.32 C ATOM 605 O GLN A 36 -7.931 10.707 1.896 1.00 31.35 O ATOM 606 CB GLN A 36 -5.831 10.818 3.858 1.00 54.14 C ATOM 607 CG GLN A 36 -4.776 10.511 4.952 1.00 12.14 C ATOM 608 CD GLN A 36 -4.988 11.286 6.262 1.00 43.44 C ATOM 609 OE1 GLN A 36 -5.499 12.405 6.272 1.00 2.22 O ATOM 610 NE2 GLN A 36 -4.585 10.702 7.373 1.00 22.33 N ATOM 0 H GLN A 36 -7.148 8.417 3.745 1.00 71.51 H new ATOM 0 HA GLN A 36 -7.595 11.028 5.115 1.00 1.23 H new ATOM 0 HB2 GLN A 36 -5.560 10.274 2.953 1.00 54.14 H new ATOM 0 HB3 GLN A 36 -5.782 11.880 3.618 1.00 54.14 H new ATOM 0 HG2 GLN A 36 -4.792 9.443 5.168 1.00 12.14 H new ATOM 0 HG3 GLN A 36 -3.785 10.743 4.561 1.00 12.14 H new ATOM 0 HE21 GLN A 36 -4.164 9.773 7.337 1.00 22.33 H new ATOM 0 HE22 GLN A 36 -4.694 11.179 8.268 1.00 22.33 H new ATOM 619 N GLY A 37 -9.492 11.284 3.445 1.00 11.02 N ATOM 620 CA GLY A 37 -10.508 11.711 2.475 1.00 4.34 C ATOM 621 C GLY A 37 -11.153 10.534 1.752 1.00 54.53 C ATOM 622 O GLY A 37 -12.100 9.926 2.254 1.00 2.53 O ATOM 0 H GLY A 37 -9.794 11.354 4.417 1.00 11.02 H new ATOM 0 HA2 GLY A 37 -11.279 12.284 2.989 1.00 4.34 H new ATOM 0 HA3 GLY A 37 -10.050 12.377 1.743 1.00 4.34 H new ATOM 626 N ASN A 38 -10.627 10.223 0.561 1.00 63.51 N ATOM 627 CA ASN A 38 -11.014 9.023 -0.218 1.00 20.32 C ATOM 628 C ASN A 38 -9.786 8.115 -0.411 1.00 60.13 C ATOM 629 O ASN A 38 -9.925 6.935 -0.756 1.00 64.02 O ATOM 630 CB ASN A 38 -11.593 9.422 -1.603 1.00 44.10 C ATOM 631 CG ASN A 38 -12.809 10.345 -1.511 1.00 0.41 C ATOM 632 OD1 ASN A 38 -12.676 11.571 -1.461 1.00 4.54 O ATOM 633 ND2 ASN A 38 -13.997 9.769 -1.473 1.00 3.42 N ATOM 0 H ASN A 38 -9.917 10.794 0.102 1.00 63.51 H new ATOM 0 HA ASN A 38 -11.786 8.487 0.335 1.00 20.32 H new ATOM 0 HB2 ASN A 38 -10.815 9.916 -2.185 1.00 44.10 H new ATOM 0 HB3 ASN A 38 -11.872 8.519 -2.146 1.00 44.10 H new ATOM 0 HD21 ASN A 38 -14.839 10.340 -1.400 1.00 3.42 H new ATOM 0 HD22 ASN A 38 -14.073 8.753 -1.516 1.00 3.42 H new ATOM 640 N THR A 39 -8.588 8.697 -0.207 1.00 21.45 N ATOM 641 CA THR A 39 -7.300 8.020 -0.394 1.00 74.01 C ATOM 642 C THR A 39 -6.815 7.415 0.936 1.00 1.31 C ATOM 643 O THR A 39 -6.389 8.143 1.840 1.00 51.05 O ATOM 644 CB THR A 39 -6.213 9.029 -0.918 1.00 14.32 C ATOM 645 OG1 THR A 39 -6.722 9.814 -2.016 1.00 50.31 O ATOM 646 CG2 THR A 39 -4.927 8.311 -1.368 1.00 65.10 C ATOM 0 H THR A 39 -8.492 9.666 0.097 1.00 21.45 H new ATOM 0 HA THR A 39 -7.443 7.228 -1.129 1.00 74.01 H new ATOM 0 HB THR A 39 -5.970 9.684 -0.081 1.00 14.32 H new ATOM 0 HG1 THR A 39 -6.029 10.435 -2.323 1.00 50.31 H new ATOM 0 HG21 THR A 39 -4.205 9.046 -1.722 1.00 65.10 H new ATOM 0 HG22 THR A 39 -4.503 7.762 -0.527 1.00 65.10 H new ATOM 0 HG23 THR A 39 -5.162 7.616 -2.174 1.00 65.10 H new ATOM 654 N ILE A 40 -6.903 6.089 1.064 1.00 23.11 N ATOM 655 CA ILE A 40 -6.301 5.373 2.188 1.00 52.03 C ATOM 656 C ILE A 40 -4.797 5.172 1.907 1.00 32.44 C ATOM 657 O ILE A 40 -4.407 4.399 1.022 1.00 51.21 O ATOM 658 CB ILE A 40 -7.015 3.993 2.440 1.00 44.42 C ATOM 659 CG1 ILE A 40 -8.536 4.214 2.711 1.00 45.24 C ATOM 660 CG2 ILE A 40 -6.339 3.225 3.601 1.00 32.04 C ATOM 661 CD1 ILE A 40 -9.340 2.958 3.024 1.00 64.43 C ATOM 0 H ILE A 40 -7.389 5.488 0.398 1.00 23.11 H new ATOM 0 HA ILE A 40 -6.426 5.966 3.094 1.00 52.03 H new ATOM 0 HB ILE A 40 -6.916 3.380 1.544 1.00 44.42 H new ATOM 0 HG12 ILE A 40 -8.641 4.908 3.545 1.00 45.24 H new ATOM 0 HG13 ILE A 40 -8.976 4.697 1.838 1.00 45.24 H new ATOM 0 HG21 ILE A 40 -6.851 2.275 3.755 1.00 32.04 H new ATOM 0 HG22 ILE A 40 -5.294 3.038 3.354 1.00 32.04 H new ATOM 0 HG23 ILE A 40 -6.396 3.820 4.513 1.00 32.04 H new ATOM 0 HD11 ILE A 40 -10.382 3.227 3.195 1.00 64.43 H new ATOM 0 HD12 ILE A 40 -9.277 2.267 2.184 1.00 64.43 H new ATOM 0 HD13 ILE A 40 -8.937 2.481 3.917 1.00 64.43 H new ATOM 673 N ARG A 41 -3.973 5.920 2.651 1.00 51.41 N ATOM 674 CA ARG A 41 -2.515 5.804 2.617 1.00 52.51 C ATOM 675 C ARG A 41 -2.087 4.621 3.488 1.00 75.13 C ATOM 676 O ARG A 41 -2.083 4.714 4.716 1.00 5.21 O ATOM 677 CB ARG A 41 -1.852 7.106 3.152 1.00 1.21 C ATOM 678 CG ARG A 41 -1.927 8.322 2.207 1.00 42.10 C ATOM 679 CD ARG A 41 -1.118 9.526 2.740 1.00 70.11 C ATOM 680 NE ARG A 41 -0.775 10.478 1.667 1.00 53.03 N ATOM 681 CZ ARG A 41 0.004 11.562 1.810 1.00 4.00 C ATOM 682 NH1 ARG A 41 0.540 11.875 2.991 1.00 40.33 N ATOM 683 NH2 ARG A 41 0.289 12.301 0.745 1.00 61.12 N ATOM 0 H ARG A 41 -4.307 6.631 3.301 1.00 51.41 H new ATOM 0 HA ARG A 41 -2.195 5.647 1.587 1.00 52.51 H new ATOM 0 HB2 ARG A 41 -2.324 7.372 4.098 1.00 1.21 H new ATOM 0 HB3 ARG A 41 -0.804 6.898 3.367 1.00 1.21 H new ATOM 0 HG2 ARG A 41 -1.550 8.040 1.224 1.00 42.10 H new ATOM 0 HG3 ARG A 41 -2.969 8.615 2.077 1.00 42.10 H new ATOM 0 HD2 ARG A 41 -1.695 10.039 3.509 1.00 70.11 H new ATOM 0 HD3 ARG A 41 -0.204 9.168 3.213 1.00 70.11 H new ATOM 0 HE ARG A 41 -1.161 10.298 0.740 1.00 53.03 H new ATOM 0 HH11 ARG A 41 0.360 11.287 3.805 1.00 40.33 H new ATOM 0 HH12 ARG A 41 1.129 12.703 3.080 1.00 40.33 H new ATOM 0 HH21 ARG A 41 -0.083 12.043 -0.169 1.00 61.12 H new ATOM 0 HH22 ARG A 41 0.880 13.127 0.841 1.00 61.12 H new ATOM 697 N VAL A 42 -1.788 3.494 2.852 1.00 21.24 N ATOM 698 CA VAL A 42 -1.230 2.340 3.551 1.00 62.44 C ATOM 699 C VAL A 42 0.293 2.425 3.480 1.00 21.02 C ATOM 700 O VAL A 42 0.869 2.347 2.396 1.00 34.32 O ATOM 701 CB VAL A 42 -1.708 0.974 2.941 1.00 53.34 C ATOM 702 CG1 VAL A 42 -1.217 -0.224 3.785 1.00 43.22 C ATOM 703 CG2 VAL A 42 -3.234 0.945 2.786 1.00 10.33 C ATOM 0 H VAL A 42 -1.923 3.354 1.851 1.00 21.24 H new ATOM 0 HA VAL A 42 -1.581 2.367 4.583 1.00 62.44 H new ATOM 0 HB VAL A 42 -1.265 0.884 1.949 1.00 53.34 H new ATOM 0 HG11 VAL A 42 -1.566 -1.153 3.335 1.00 43.22 H new ATOM 0 HG12 VAL A 42 -0.128 -0.223 3.819 1.00 43.22 H new ATOM 0 HG13 VAL A 42 -1.611 -0.141 4.798 1.00 43.22 H new ATOM 0 HG21 VAL A 42 -3.538 -0.012 2.362 1.00 10.33 H new ATOM 0 HG22 VAL A 42 -3.701 1.074 3.762 1.00 10.33 H new ATOM 0 HG23 VAL A 42 -3.548 1.752 2.124 1.00 10.33 H new ATOM 713 N GLU A 43 0.913 2.673 4.631 1.00 31.01 N ATOM 714 CA GLU A 43 2.361 2.521 4.814 1.00 75.12 C ATOM 715 C GLU A 43 2.686 1.025 4.979 1.00 25.21 C ATOM 716 O GLU A 43 2.086 0.355 5.825 1.00 11.11 O ATOM 717 CB GLU A 43 2.851 3.310 6.061 1.00 13.11 C ATOM 718 CG GLU A 43 2.543 4.819 6.039 1.00 22.33 C ATOM 719 CD GLU A 43 3.192 5.581 7.212 1.00 74.42 C ATOM 720 OE1 GLU A 43 2.554 5.714 8.284 1.00 4.13 O ATOM 721 OE2 GLU A 43 4.350 6.043 7.077 1.00 40.44 O ATOM 0 H GLU A 43 0.425 2.987 5.470 1.00 31.01 H new ATOM 0 HA GLU A 43 2.874 2.923 3.940 1.00 75.12 H new ATOM 0 HB2 GLU A 43 2.395 2.874 6.950 1.00 13.11 H new ATOM 0 HB3 GLU A 43 3.928 3.176 6.157 1.00 13.11 H new ATOM 0 HG2 GLU A 43 2.894 5.243 5.098 1.00 22.33 H new ATOM 0 HG3 GLU A 43 1.463 4.965 6.071 1.00 22.33 H new ATOM 728 N LEU A 44 3.612 0.503 4.153 1.00 33.52 N ATOM 729 CA LEU A 44 4.104 -0.888 4.264 1.00 65.34 C ATOM 730 C LEU A 44 5.638 -0.875 4.265 1.00 35.24 C ATOM 731 O LEU A 44 6.259 0.057 3.760 1.00 31.52 O ATOM 732 CB LEU A 44 3.562 -1.829 3.135 1.00 3.22 C ATOM 733 CG LEU A 44 2.049 -1.668 2.743 1.00 42.41 C ATOM 734 CD1 LEU A 44 1.859 -0.581 1.667 1.00 34.42 C ATOM 735 CD2 LEU A 44 1.422 -2.995 2.283 1.00 45.21 C ATOM 0 H LEU A 44 4.040 1.029 3.392 1.00 33.52 H new ATOM 0 HA LEU A 44 3.725 -1.298 5.200 1.00 65.34 H new ATOM 0 HB2 LEU A 44 4.164 -1.667 2.240 1.00 3.22 H new ATOM 0 HB3 LEU A 44 3.724 -2.861 3.446 1.00 3.22 H new ATOM 0 HG LEU A 44 1.527 -1.354 3.647 1.00 42.41 H new ATOM 0 HD11 LEU A 44 0.801 -0.496 1.419 1.00 34.42 H new ATOM 0 HD12 LEU A 44 2.221 0.374 2.047 1.00 34.42 H new ATOM 0 HD13 LEU A 44 2.421 -0.852 0.773 1.00 34.42 H new ATOM 0 HD21 LEU A 44 0.376 -2.832 2.023 1.00 45.21 H new ATOM 0 HD22 LEU A 44 1.959 -3.368 1.411 1.00 45.21 H new ATOM 0 HD23 LEU A 44 1.486 -3.726 3.089 1.00 45.21 H new ATOM 747 N GLU A 45 6.227 -1.926 4.832 1.00 50.34 N ATOM 748 CA GLU A 45 7.672 -2.056 5.036 1.00 25.11 C ATOM 749 C GLU A 45 8.182 -3.265 4.212 1.00 15.10 C ATOM 750 O GLU A 45 7.906 -4.422 4.545 1.00 34.52 O ATOM 751 CB GLU A 45 7.924 -2.206 6.565 1.00 74.10 C ATOM 752 CG GLU A 45 9.397 -2.124 7.005 1.00 31.34 C ATOM 753 CD GLU A 45 9.564 -2.071 8.537 1.00 12.43 C ATOM 754 OE1 GLU A 45 9.792 -3.126 9.172 1.00 72.24 O ATOM 755 OE2 GLU A 45 9.453 -0.965 9.118 1.00 20.21 O ATOM 0 H GLU A 45 5.701 -2.732 5.171 1.00 50.34 H new ATOM 0 HA GLU A 45 8.222 -1.181 4.690 1.00 25.11 H new ATOM 0 HB2 GLU A 45 7.364 -1.430 7.086 1.00 74.10 H new ATOM 0 HB3 GLU A 45 7.519 -3.164 6.890 1.00 74.10 H new ATOM 0 HG2 GLU A 45 9.936 -2.988 6.616 1.00 31.34 H new ATOM 0 HG3 GLU A 45 9.854 -1.238 6.564 1.00 31.34 H new ATOM 762 N LEU A 46 8.890 -2.951 3.113 1.00 14.32 N ATOM 763 CA LEU A 46 9.364 -3.921 2.096 1.00 31.44 C ATOM 764 C LEU A 46 10.886 -4.090 2.253 1.00 34.20 C ATOM 765 O LEU A 46 11.587 -3.103 2.478 1.00 1.33 O ATOM 766 CB LEU A 46 8.982 -3.350 0.689 1.00 34.32 C ATOM 767 CG LEU A 46 9.223 -4.222 -0.604 1.00 21.21 C ATOM 768 CD1 LEU A 46 8.438 -3.655 -1.803 1.00 72.35 C ATOM 769 CD2 LEU A 46 10.704 -4.314 -1.014 1.00 12.14 C ATOM 0 H LEU A 46 9.158 -1.991 2.897 1.00 14.32 H new ATOM 0 HA LEU A 46 8.905 -4.902 2.216 1.00 31.44 H new ATOM 0 HB2 LEU A 46 7.922 -3.097 0.718 1.00 34.32 H new ATOM 0 HB3 LEU A 46 9.529 -2.416 0.558 1.00 34.32 H new ATOM 0 HG LEU A 46 8.875 -5.221 -0.343 1.00 21.21 H new ATOM 0 HD11 LEU A 46 8.620 -4.273 -2.682 1.00 72.35 H new ATOM 0 HD12 LEU A 46 7.372 -3.656 -1.573 1.00 72.35 H new ATOM 0 HD13 LEU A 46 8.765 -2.635 -2.003 1.00 72.35 H new ATOM 0 HD21 LEU A 46 10.796 -4.928 -1.910 1.00 12.14 H new ATOM 0 HD22 LEU A 46 11.088 -3.314 -1.218 1.00 12.14 H new ATOM 0 HD23 LEU A 46 11.278 -4.765 -0.205 1.00 12.14 H new ATOM 781 N ARG A 47 11.410 -5.328 2.101 1.00 13.00 N ATOM 782 CA ARG A 47 12.868 -5.572 2.208 1.00 50.22 C ATOM 783 C ARG A 47 13.470 -5.722 0.795 1.00 55.44 C ATOM 784 O ARG A 47 13.480 -6.813 0.226 1.00 31.03 O ATOM 785 CB ARG A 47 13.146 -6.854 3.056 1.00 4.13 C ATOM 786 CG ARG A 47 12.327 -6.962 4.358 1.00 22.42 C ATOM 787 CD ARG A 47 12.812 -8.101 5.274 1.00 72.31 C ATOM 788 NE ARG A 47 12.892 -9.400 4.575 1.00 2.14 N ATOM 789 CZ ARG A 47 12.934 -10.606 5.168 1.00 5.41 C ATOM 790 NH1 ARG A 47 12.890 -10.727 6.494 1.00 11.13 N ATOM 791 NH2 ARG A 47 13.022 -11.693 4.411 1.00 42.31 N ATOM 0 H ARG A 47 10.856 -6.162 1.907 1.00 13.00 H new ATOM 0 HA ARG A 47 13.336 -4.724 2.709 1.00 50.22 H new ATOM 0 HB2 ARG A 47 12.940 -7.730 2.441 1.00 4.13 H new ATOM 0 HB3 ARG A 47 14.206 -6.883 3.308 1.00 4.13 H new ATOM 0 HG2 ARG A 47 12.386 -6.017 4.898 1.00 22.42 H new ATOM 0 HG3 ARG A 47 11.278 -7.123 4.110 1.00 22.42 H new ATOM 0 HD2 ARG A 47 13.794 -7.847 5.674 1.00 72.31 H new ATOM 0 HD3 ARG A 47 12.135 -8.191 6.124 1.00 72.31 H new ATOM 0 HE ARG A 47 12.918 -9.380 3.556 1.00 2.14 H new ATOM 0 HH11 ARG A 47 12.823 -9.895 7.080 1.00 11.13 H new ATOM 0 HH12 ARG A 47 12.923 -11.652 6.923 1.00 11.13 H new ATOM 0 HH21 ARG A 47 13.057 -11.606 3.395 1.00 42.31 H new ATOM 0 HH22 ARG A 47 13.055 -12.615 4.845 1.00 42.31 H new ATOM 805 N THR A 48 14.001 -4.615 0.261 1.00 71.24 N ATOM 806 CA THR A 48 14.569 -4.559 -1.099 1.00 21.30 C ATOM 807 C THR A 48 16.036 -5.039 -1.086 1.00 41.52 C ATOM 808 O THR A 48 16.921 -4.300 -0.649 1.00 42.15 O ATOM 809 CB THR A 48 14.499 -3.092 -1.677 1.00 25.41 C ATOM 810 OG1 THR A 48 13.207 -2.514 -1.421 1.00 32.31 O ATOM 811 CG2 THR A 48 14.762 -3.056 -3.196 1.00 34.52 C ATOM 0 H THR A 48 14.051 -3.727 0.760 1.00 71.24 H new ATOM 0 HA THR A 48 13.979 -5.216 -1.738 1.00 21.30 H new ATOM 0 HB THR A 48 15.277 -2.518 -1.175 1.00 25.41 H new ATOM 0 HG1 THR A 48 13.192 -1.589 -1.745 1.00 32.31 H new ATOM 0 HG21 THR A 48 14.704 -2.027 -3.551 1.00 34.52 H new ATOM 0 HG22 THR A 48 15.755 -3.456 -3.403 1.00 34.52 H new ATOM 0 HG23 THR A 48 14.013 -3.660 -3.709 1.00 34.52 H new ATOM 819 N ASN A 49 16.261 -6.304 -1.500 1.00 2.30 N ATOM 820 CA ASN A 49 17.617 -6.889 -1.705 1.00 15.34 C ATOM 821 C ASN A 49 18.378 -7.052 -0.354 1.00 21.12 C ATOM 822 O ASN A 49 19.602 -7.254 -0.321 1.00 13.42 O ATOM 823 CB ASN A 49 18.407 -6.017 -2.752 1.00 65.34 C ATOM 824 CG ASN A 49 19.763 -6.582 -3.193 1.00 21.11 C ATOM 825 OD1 ASN A 49 19.970 -7.793 -3.228 1.00 55.45 O ATOM 826 ND2 ASN A 49 20.699 -5.704 -3.539 1.00 72.13 N ATOM 0 H ASN A 49 15.506 -6.958 -1.705 1.00 2.30 H new ATOM 0 HA ASN A 49 17.521 -7.896 -2.111 1.00 15.34 H new ATOM 0 HB2 ASN A 49 17.782 -5.887 -3.636 1.00 65.34 H new ATOM 0 HB3 ASN A 49 18.567 -5.026 -2.327 1.00 65.34 H new ATOM 0 HD21 ASN A 49 21.616 -6.030 -3.843 1.00 72.13 H new ATOM 0 HD22 ASN A 49 20.500 -4.704 -3.500 1.00 72.13 H new ATOM 833 N GLY A 50 17.623 -7.030 0.763 1.00 14.11 N ATOM 834 CA GLY A 50 18.206 -7.072 2.110 1.00 30.21 C ATOM 835 C GLY A 50 18.283 -5.700 2.764 1.00 75.21 C ATOM 836 O GLY A 50 18.549 -5.605 3.964 1.00 32.23 O ATOM 0 H GLY A 50 16.604 -6.983 0.753 1.00 14.11 H new ATOM 0 HA2 GLY A 50 17.611 -7.735 2.738 1.00 30.21 H new ATOM 0 HA3 GLY A 50 19.207 -7.499 2.054 1.00 30.21 H new ATOM 840 N LYS A 51 18.070 -4.630 1.981 1.00 21.15 N ATOM 841 CA LYS A 51 17.857 -3.277 2.529 1.00 12.02 C ATOM 842 C LYS A 51 16.352 -3.066 2.738 1.00 55.01 C ATOM 843 O LYS A 51 15.592 -3.102 1.779 1.00 63.34 O ATOM 844 CB LYS A 51 18.419 -2.202 1.548 1.00 64.50 C ATOM 845 CG LYS A 51 19.957 -2.048 1.562 1.00 53.21 C ATOM 846 CD LYS A 51 20.486 -1.450 2.887 1.00 75.22 C ATOM 847 CE LYS A 51 19.904 -0.050 3.176 1.00 21.23 C ATOM 848 NZ LYS A 51 20.371 0.494 4.480 1.00 45.45 N ATOM 0 H LYS A 51 18.040 -4.675 0.962 1.00 21.15 H new ATOM 0 HA LYS A 51 18.381 -3.177 3.480 1.00 12.02 H new ATOM 0 HB2 LYS A 51 18.103 -2.454 0.536 1.00 64.50 H new ATOM 0 HB3 LYS A 51 17.970 -1.239 1.791 1.00 64.50 H new ATOM 0 HG2 LYS A 51 20.417 -3.023 1.399 1.00 53.21 H new ATOM 0 HG3 LYS A 51 20.261 -1.409 0.733 1.00 53.21 H new ATOM 0 HD2 LYS A 51 20.237 -2.120 3.710 1.00 75.22 H new ATOM 0 HD3 LYS A 51 21.573 -1.387 2.845 1.00 75.22 H new ATOM 0 HE2 LYS A 51 20.190 0.633 2.376 1.00 21.23 H new ATOM 0 HE3 LYS A 51 18.815 -0.104 3.175 1.00 21.23 H new ATOM 0 HZ1 LYS A 51 19.955 1.435 4.632 1.00 45.45 H new ATOM 0 HZ2 LYS A 51 20.076 -0.143 5.247 1.00 45.45 H new ATOM 0 HZ3 LYS A 51 21.408 0.571 4.473 1.00 45.45 H new ATOM 862 N LYS A 52 15.934 -2.782 3.977 1.00 51.32 N ATOM 863 CA LYS A 52 14.506 -2.679 4.317 1.00 34.11 C ATOM 864 C LYS A 52 14.091 -1.203 4.349 1.00 61.22 C ATOM 865 O LYS A 52 14.663 -0.413 5.106 1.00 45.25 O ATOM 866 CB LYS A 52 14.215 -3.398 5.667 1.00 35.42 C ATOM 867 CG LYS A 52 12.713 -3.433 6.046 1.00 43.33 C ATOM 868 CD LYS A 52 12.386 -4.434 7.179 1.00 52.24 C ATOM 869 CE LYS A 52 13.016 -4.068 8.529 1.00 21.03 C ATOM 870 NZ LYS A 52 12.612 -5.044 9.578 1.00 13.01 N ATOM 0 H LYS A 52 16.563 -2.619 4.763 1.00 51.32 H new ATOM 0 HA LYS A 52 13.910 -3.179 3.554 1.00 34.11 H new ATOM 0 HB2 LYS A 52 14.590 -4.420 5.612 1.00 35.42 H new ATOM 0 HB3 LYS A 52 14.769 -2.898 6.461 1.00 35.42 H new ATOM 0 HG2 LYS A 52 12.400 -2.435 6.352 1.00 43.33 H new ATOM 0 HG3 LYS A 52 12.129 -3.693 5.163 1.00 43.33 H new ATOM 0 HD2 LYS A 52 11.304 -4.493 7.298 1.00 52.24 H new ATOM 0 HD3 LYS A 52 12.729 -5.426 6.885 1.00 52.24 H new ATOM 0 HE2 LYS A 52 14.102 -4.053 8.437 1.00 21.03 H new ATOM 0 HE3 LYS A 52 12.707 -3.064 8.820 1.00 21.03 H new ATOM 0 HZ1 LYS A 52 13.048 -4.780 10.484 1.00 13.01 H new ATOM 0 HZ2 LYS A 52 11.577 -5.038 9.677 1.00 13.01 H new ATOM 0 HZ3 LYS A 52 12.929 -5.997 9.306 1.00 13.01 H new ATOM 884 N GLU A 53 13.101 -0.842 3.515 1.00 43.23 N ATOM 885 CA GLU A 53 12.653 0.543 3.337 1.00 42.42 C ATOM 886 C GLU A 53 11.140 0.665 3.583 1.00 1.14 C ATOM 887 O GLU A 53 10.374 -0.279 3.333 1.00 52.55 O ATOM 888 CB GLU A 53 13.019 1.045 1.906 1.00 42.40 C ATOM 889 CG GLU A 53 12.763 2.553 1.646 1.00 42.11 C ATOM 890 CD GLU A 53 13.646 3.496 2.499 1.00 41.35 C ATOM 891 OE1 GLU A 53 13.430 3.586 3.726 1.00 2.30 O ATOM 892 OE2 GLU A 53 14.549 4.157 1.943 1.00 13.44 O ATOM 0 H GLU A 53 12.587 -1.512 2.942 1.00 43.23 H new ATOM 0 HA GLU A 53 13.164 1.168 4.069 1.00 42.42 H new ATOM 0 HB2 GLU A 53 14.073 0.836 1.724 1.00 42.40 H new ATOM 0 HB3 GLU A 53 12.449 0.466 1.179 1.00 42.40 H new ATOM 0 HG2 GLU A 53 12.937 2.764 0.591 1.00 42.11 H new ATOM 0 HG3 GLU A 53 11.714 2.773 1.846 1.00 42.11 H new ATOM 899 N ASN A 54 10.730 1.844 4.074 1.00 40.45 N ATOM 900 CA ASN A 54 9.320 2.180 4.312 1.00 33.22 C ATOM 901 C ASN A 54 8.714 2.827 3.049 1.00 63.51 C ATOM 902 O ASN A 54 9.199 3.854 2.567 1.00 75.14 O ATOM 903 CB ASN A 54 9.200 3.136 5.529 1.00 4.52 C ATOM 904 CG ASN A 54 9.770 2.561 6.839 1.00 14.55 C ATOM 905 OD1 ASN A 54 10.378 3.281 7.638 1.00 4.12 O ATOM 906 ND2 ASN A 54 9.532 1.280 7.097 1.00 35.13 N ATOM 0 H ASN A 54 11.374 2.597 4.319 1.00 40.45 H new ATOM 0 HA ASN A 54 8.766 1.268 4.534 1.00 33.22 H new ATOM 0 HB2 ASN A 54 9.717 4.067 5.298 1.00 4.52 H new ATOM 0 HB3 ASN A 54 8.149 3.384 5.680 1.00 4.52 H new ATOM 0 HD21 ASN A 54 9.854 0.868 7.973 1.00 35.13 H new ATOM 0 HD22 ASN A 54 9.028 0.708 6.419 1.00 35.13 H new ATOM 913 N TYR A 55 7.693 2.181 2.487 1.00 61.34 N ATOM 914 CA TYR A 55 6.904 2.711 1.355 1.00 22.24 C ATOM 915 C TYR A 55 5.498 3.100 1.846 1.00 4.45 C ATOM 916 O TYR A 55 5.098 2.749 2.961 1.00 25.11 O ATOM 917 CB TYR A 55 6.809 1.654 0.222 1.00 64.31 C ATOM 918 CG TYR A 55 8.171 1.243 -0.359 1.00 23.54 C ATOM 919 CD1 TYR A 55 8.690 1.846 -1.509 1.00 65.35 C ATOM 920 CD2 TYR A 55 8.952 0.264 0.262 1.00 14.20 C ATOM 921 CE1 TYR A 55 9.929 1.486 -2.016 1.00 21.11 C ATOM 922 CE2 TYR A 55 10.189 -0.100 -0.244 1.00 53.12 C ATOM 923 CZ TYR A 55 10.675 0.513 -1.378 1.00 24.52 C ATOM 924 OH TYR A 55 11.917 0.161 -1.876 1.00 5.54 O ATOM 0 H TYR A 55 7.380 1.263 2.803 1.00 61.34 H new ATOM 0 HA TYR A 55 7.400 3.596 0.956 1.00 22.24 H new ATOM 0 HB2 TYR A 55 6.306 0.767 0.607 1.00 64.31 H new ATOM 0 HB3 TYR A 55 6.187 2.050 -0.581 1.00 64.31 H new ATOM 0 HD1 TYR A 55 8.114 2.608 -2.013 1.00 65.35 H new ATOM 0 HD2 TYR A 55 8.583 -0.219 1.155 1.00 14.20 H new ATOM 0 HE1 TYR A 55 10.310 1.964 -2.906 1.00 21.11 H new ATOM 0 HE2 TYR A 55 10.772 -0.863 0.250 1.00 53.12 H new ATOM 0 HH TYR A 55 12.322 0.934 -2.322 1.00 5.54 H new ATOM 934 N THR A 56 4.759 3.834 1.009 1.00 61.31 N ATOM 935 CA THR A 56 3.383 4.242 1.293 1.00 23.20 C ATOM 936 C THR A 56 2.593 4.237 -0.019 1.00 75.22 C ATOM 937 O THR A 56 2.773 5.123 -0.859 1.00 34.13 O ATOM 938 CB THR A 56 3.336 5.671 1.940 1.00 15.35 C ATOM 939 OG1 THR A 56 4.179 5.722 3.116 1.00 42.24 O ATOM 940 CG2 THR A 56 1.900 6.082 2.320 1.00 10.24 C ATOM 0 H THR A 56 5.104 4.164 0.107 1.00 61.31 H new ATOM 0 HA THR A 56 2.944 3.542 2.004 1.00 23.20 H new ATOM 0 HB THR A 56 3.705 6.374 1.193 1.00 15.35 H new ATOM 0 HG1 THR A 56 4.141 6.620 3.507 1.00 42.24 H new ATOM 0 HG21 THR A 56 1.912 7.077 2.765 1.00 10.24 H new ATOM 0 HG22 THR A 56 1.276 6.091 1.427 1.00 10.24 H new ATOM 0 HG23 THR A 56 1.495 5.369 3.038 1.00 10.24 H new ATOM 948 N VAL A 57 1.741 3.228 -0.202 1.00 71.05 N ATOM 949 CA VAL A 57 0.912 3.114 -1.398 1.00 72.11 C ATOM 950 C VAL A 57 -0.440 3.787 -1.112 1.00 60.52 C ATOM 951 O VAL A 57 -1.272 3.275 -0.347 1.00 64.34 O ATOM 952 CB VAL A 57 0.714 1.615 -1.831 1.00 31.22 C ATOM 953 CG1 VAL A 57 -0.074 1.506 -3.156 1.00 42.20 C ATOM 954 CG2 VAL A 57 2.069 0.884 -1.935 1.00 51.04 C ATOM 0 H VAL A 57 1.608 2.473 0.470 1.00 71.05 H new ATOM 0 HA VAL A 57 1.410 3.612 -2.230 1.00 72.11 H new ATOM 0 HB VAL A 57 0.124 1.127 -1.055 1.00 31.22 H new ATOM 0 HG11 VAL A 57 -0.192 0.456 -3.424 1.00 42.20 H new ATOM 0 HG12 VAL A 57 -1.057 1.961 -3.033 1.00 42.20 H new ATOM 0 HG13 VAL A 57 0.470 2.024 -3.946 1.00 42.20 H new ATOM 0 HG21 VAL A 57 1.902 -0.150 -2.236 1.00 51.04 H new ATOM 0 HG22 VAL A 57 2.695 1.381 -2.676 1.00 51.04 H new ATOM 0 HG23 VAL A 57 2.568 0.904 -0.966 1.00 51.04 H new ATOM 964 N GLU A 58 -0.585 4.976 -1.696 1.00 23.33 N ATOM 965 CA GLU A 58 -1.777 5.817 -1.599 1.00 62.24 C ATOM 966 C GLU A 58 -2.849 5.261 -2.555 1.00 1.20 C ATOM 967 O GLU A 58 -2.703 5.369 -3.773 1.00 61.23 O ATOM 968 CB GLU A 58 -1.387 7.275 -1.993 1.00 52.33 C ATOM 969 CG GLU A 58 -0.186 7.861 -1.210 1.00 21.12 C ATOM 970 CD GLU A 58 0.218 9.273 -1.676 1.00 73.43 C ATOM 971 OE1 GLU A 58 1.218 9.410 -2.419 1.00 63.52 O ATOM 972 OE2 GLU A 58 -0.455 10.252 -1.287 1.00 0.40 O ATOM 0 H GLU A 58 0.148 5.394 -2.269 1.00 23.33 H new ATOM 0 HA GLU A 58 -2.176 5.819 -0.585 1.00 62.24 H new ATOM 0 HB2 GLU A 58 -1.155 7.299 -3.058 1.00 52.33 H new ATOM 0 HB3 GLU A 58 -2.252 7.921 -1.841 1.00 52.33 H new ATOM 0 HG2 GLU A 58 -0.435 7.894 -0.149 1.00 21.12 H new ATOM 0 HG3 GLU A 58 0.669 7.193 -1.317 1.00 21.12 H new ATOM 979 N VAL A 59 -3.889 4.622 -2.000 1.00 55.30 N ATOM 980 CA VAL A 59 -4.963 3.976 -2.779 1.00 34.15 C ATOM 981 C VAL A 59 -6.304 4.701 -2.511 1.00 11.22 C ATOM 982 O VAL A 59 -6.821 4.664 -1.392 1.00 15.24 O ATOM 983 CB VAL A 59 -5.092 2.451 -2.406 1.00 71.23 C ATOM 984 CG1 VAL A 59 -6.156 1.739 -3.266 1.00 74.11 C ATOM 985 CG2 VAL A 59 -3.729 1.720 -2.489 1.00 20.02 C ATOM 0 H VAL A 59 -4.012 4.537 -0.991 1.00 55.30 H new ATOM 0 HA VAL A 59 -4.714 4.046 -3.838 1.00 34.15 H new ATOM 0 HB VAL A 59 -5.425 2.409 -1.369 1.00 71.23 H new ATOM 0 HG11 VAL A 59 -6.214 0.689 -2.978 1.00 74.11 H new ATOM 0 HG12 VAL A 59 -7.126 2.212 -3.111 1.00 74.11 H new ATOM 0 HG13 VAL A 59 -5.881 1.812 -4.318 1.00 74.11 H new ATOM 0 HG21 VAL A 59 -3.862 0.671 -2.224 1.00 20.02 H new ATOM 0 HG22 VAL A 59 -3.339 1.791 -3.504 1.00 20.02 H new ATOM 0 HG23 VAL A 59 -3.025 2.182 -1.797 1.00 20.02 H new ATOM 995 N GLU A 60 -6.847 5.370 -3.546 1.00 61.05 N ATOM 996 CA GLU A 60 -8.124 6.113 -3.469 1.00 13.20 C ATOM 997 C GLU A 60 -9.249 5.314 -4.130 1.00 14.12 C ATOM 998 O GLU A 60 -9.008 4.557 -5.069 1.00 25.32 O ATOM 999 CB GLU A 60 -7.967 7.500 -4.149 1.00 12.33 C ATOM 1000 CG GLU A 60 -9.243 8.375 -4.195 1.00 3.42 C ATOM 1001 CD GLU A 60 -8.973 9.851 -4.537 1.00 42.05 C ATOM 1002 OE1 GLU A 60 -9.020 10.712 -3.624 1.00 62.13 O ATOM 1003 OE2 GLU A 60 -8.698 10.154 -5.718 1.00 42.40 O ATOM 0 H GLU A 60 -6.410 5.412 -4.467 1.00 61.05 H new ATOM 0 HA GLU A 60 -8.384 6.262 -2.421 1.00 13.20 H new ATOM 0 HB2 GLU A 60 -7.188 8.054 -3.626 1.00 12.33 H new ATOM 0 HB3 GLU A 60 -7.618 7.346 -5.170 1.00 12.33 H new ATOM 0 HG2 GLU A 60 -9.930 7.961 -4.933 1.00 3.42 H new ATOM 0 HG3 GLU A 60 -9.744 8.322 -3.228 1.00 3.42 H new ATOM 1010 N ARG A 61 -10.478 5.494 -3.623 1.00 0.40 N ATOM 1011 CA ARG A 61 -11.667 4.823 -4.151 1.00 24.52 C ATOM 1012 C ARG A 61 -12.013 5.339 -5.571 1.00 34.31 C ATOM 1013 O ARG A 61 -12.059 6.550 -5.810 1.00 63.35 O ATOM 1014 CB ARG A 61 -12.855 5.028 -3.177 1.00 33.35 C ATOM 1015 CG ARG A 61 -14.114 4.203 -3.515 1.00 33.33 C ATOM 1016 CD ARG A 61 -13.844 2.689 -3.483 1.00 5.21 C ATOM 1017 NE ARG A 61 -15.057 1.905 -3.750 1.00 61.23 N ATOM 1018 CZ ARG A 61 -15.469 0.848 -3.025 1.00 31.31 C ATOM 1019 NH1 ARG A 61 -14.768 0.433 -1.983 1.00 22.14 N ATOM 1020 NH2 ARG A 61 -16.606 0.242 -3.328 1.00 44.35 N ATOM 0 H ARG A 61 -10.672 6.111 -2.834 1.00 0.40 H new ATOM 0 HA ARG A 61 -11.462 3.756 -4.235 1.00 24.52 H new ATOM 0 HB2 ARG A 61 -12.529 4.772 -2.169 1.00 33.35 H new ATOM 0 HB3 ARG A 61 -13.121 6.085 -3.167 1.00 33.35 H new ATOM 0 HG2 ARG A 61 -14.905 4.444 -2.805 1.00 33.33 H new ATOM 0 HG3 ARG A 61 -14.476 4.485 -4.504 1.00 33.33 H new ATOM 0 HD2 ARG A 61 -13.083 2.441 -4.223 1.00 5.21 H new ATOM 0 HD3 ARG A 61 -13.442 2.413 -2.508 1.00 5.21 H new ATOM 0 HE ARG A 61 -15.631 2.183 -4.546 1.00 61.23 H new ATOM 0 HH11 ARG A 61 -13.907 0.915 -1.723 1.00 22.14 H new ATOM 0 HH12 ARG A 61 -15.088 -0.369 -1.440 1.00 22.14 H new ATOM 0 HH21 ARG A 61 -17.169 0.576 -4.110 1.00 44.35 H new ATOM 0 HH22 ARG A 61 -16.919 -0.559 -2.779 1.00 44.35 H new ATOM 1034 N GLN A 62 -12.216 4.399 -6.499 1.00 14.51 N ATOM 1035 CA GLN A 62 -12.637 4.687 -7.882 1.00 10.10 C ATOM 1036 C GLN A 62 -13.999 4.005 -8.146 1.00 15.42 C ATOM 1037 O GLN A 62 -14.066 2.896 -8.701 1.00 51.22 O ATOM 1038 CB GLN A 62 -11.533 4.195 -8.868 1.00 71.33 C ATOM 1039 CG GLN A 62 -11.722 4.614 -10.344 1.00 54.20 C ATOM 1040 CD GLN A 62 -11.619 6.125 -10.587 1.00 43.41 C ATOM 1041 OE1 GLN A 62 -10.896 6.837 -9.889 1.00 75.12 O ATOM 1042 NE2 GLN A 62 -12.331 6.623 -11.589 1.00 13.12 N ATOM 0 H GLN A 62 -12.092 3.404 -6.313 1.00 14.51 H new ATOM 0 HA GLN A 62 -12.763 5.759 -8.034 1.00 10.10 H new ATOM 0 HB2 GLN A 62 -10.569 4.570 -8.523 1.00 71.33 H new ATOM 0 HB3 GLN A 62 -11.487 3.107 -8.821 1.00 71.33 H new ATOM 0 HG2 GLN A 62 -10.973 4.108 -10.952 1.00 54.20 H new ATOM 0 HG3 GLN A 62 -12.697 4.268 -10.686 1.00 54.20 H new ATOM 0 HE21 GLN A 62 -12.921 6.009 -12.150 1.00 13.12 H new ATOM 0 HE22 GLN A 62 -12.288 7.620 -11.799 1.00 13.12 H new ATOM 1051 N GLY A 63 -15.077 4.653 -7.670 1.00 13.22 N ATOM 1052 CA GLY A 63 -16.436 4.139 -7.840 1.00 55.14 C ATOM 1053 C GLY A 63 -16.702 2.893 -6.991 1.00 61.10 C ATOM 1054 O GLY A 63 -16.941 3.003 -5.784 1.00 73.13 O ATOM 0 H GLY A 63 -15.026 5.537 -7.163 1.00 13.22 H new ATOM 0 HA2 GLY A 63 -17.151 4.917 -7.572 1.00 55.14 H new ATOM 0 HA3 GLY A 63 -16.602 3.901 -8.891 1.00 55.14 H new ATOM 1058 N ASN A 64 -16.645 1.707 -7.630 1.00 71.13 N ATOM 1059 CA ASN A 64 -16.880 0.397 -6.967 1.00 52.21 C ATOM 1060 C ASN A 64 -15.541 -0.286 -6.621 1.00 30.45 C ATOM 1061 O ASN A 64 -15.456 -1.078 -5.675 1.00 0.44 O ATOM 1062 CB ASN A 64 -17.724 -0.539 -7.883 1.00 3.33 C ATOM 1063 CG ASN A 64 -19.120 0.006 -8.242 1.00 41.51 C ATOM 1064 OD1 ASN A 64 -19.338 1.217 -8.331 1.00 31.20 O ATOM 1065 ND2 ASN A 64 -20.071 -0.886 -8.481 1.00 23.24 N ATOM 0 H ASN A 64 -16.434 1.625 -8.625 1.00 71.13 H new ATOM 0 HA ASN A 64 -17.432 0.582 -6.045 1.00 52.21 H new ATOM 0 HB2 ASN A 64 -17.171 -0.720 -8.805 1.00 3.33 H new ATOM 0 HB3 ASN A 64 -17.841 -1.503 -7.387 1.00 3.33 H new ATOM 0 HD21 ASN A 64 -21.006 -0.576 -8.745 1.00 23.24 H new ATOM 0 HD22 ASN A 64 -19.867 -1.882 -8.401 1.00 23.24 H new ATOM 1072 N THR A 65 -14.506 0.025 -7.413 1.00 42.02 N ATOM 1073 CA THR A 65 -13.154 -0.546 -7.250 1.00 32.35 C ATOM 1074 C THR A 65 -12.229 0.456 -6.533 1.00 52.21 C ATOM 1075 O THR A 65 -12.618 1.600 -6.286 1.00 13.35 O ATOM 1076 CB THR A 65 -12.560 -0.943 -8.648 1.00 5.33 C ATOM 1077 OG1 THR A 65 -11.277 -1.567 -8.486 1.00 14.14 O ATOM 1078 CG2 THR A 65 -12.418 0.256 -9.606 1.00 33.10 C ATOM 0 H THR A 65 -14.579 0.682 -8.190 1.00 42.02 H new ATOM 0 HA THR A 65 -13.226 -1.444 -6.637 1.00 32.35 H new ATOM 0 HB THR A 65 -13.270 -1.640 -9.094 1.00 5.33 H new ATOM 0 HG1 THR A 65 -10.919 -1.811 -9.365 1.00 14.14 H new ATOM 0 HG21 THR A 65 -12.002 -0.084 -10.555 1.00 33.10 H new ATOM 0 HG22 THR A 65 -13.397 0.702 -9.778 1.00 33.10 H new ATOM 0 HG23 THR A 65 -11.754 0.998 -9.164 1.00 33.10 H new ATOM 1086 N TRP A 66 -11.016 0.011 -6.172 1.00 40.44 N ATOM 1087 CA TRP A 66 -9.964 0.880 -5.610 1.00 61.02 C ATOM 1088 C TRP A 66 -8.859 1.088 -6.666 1.00 62.22 C ATOM 1089 O TRP A 66 -8.634 0.208 -7.508 1.00 61.04 O ATOM 1090 CB TRP A 66 -9.382 0.236 -4.324 1.00 14.43 C ATOM 1091 CG TRP A 66 -10.349 0.195 -3.156 1.00 1.35 C ATOM 1092 CD1 TRP A 66 -11.226 -0.811 -2.827 1.00 1.31 C ATOM 1093 CD2 TRP A 66 -10.530 1.217 -2.165 1.00 70.34 C ATOM 1094 NE1 TRP A 66 -11.934 -0.470 -1.699 1.00 42.23 N ATOM 1095 CE2 TRP A 66 -11.525 0.769 -1.276 1.00 43.10 C ATOM 1096 CE3 TRP A 66 -9.946 2.471 -1.946 1.00 11.54 C ATOM 1097 CZ2 TRP A 66 -11.943 1.527 -0.185 1.00 72.43 C ATOM 1098 CZ3 TRP A 66 -10.360 3.221 -0.862 1.00 11.34 C ATOM 1099 CH2 TRP A 66 -11.355 2.749 0.004 1.00 63.32 C ATOM 0 H TRP A 66 -10.733 -0.965 -6.261 1.00 40.44 H new ATOM 0 HA TRP A 66 -10.386 1.850 -5.346 1.00 61.02 H new ATOM 0 HB2 TRP A 66 -9.063 -0.781 -4.553 1.00 14.43 H new ATOM 0 HB3 TRP A 66 -8.492 0.790 -4.025 1.00 14.43 H new ATOM 0 HD1 TRP A 66 -11.342 -1.735 -3.375 1.00 1.31 H new ATOM 0 HE1 TRP A 66 -12.647 -1.045 -1.250 1.00 42.23 H new ATOM 0 HE3 TRP A 66 -9.184 2.846 -2.614 1.00 11.54 H new ATOM 0 HZ2 TRP A 66 -12.705 1.163 0.489 1.00 72.43 H new ATOM 0 HZ3 TRP A 66 -9.910 4.186 -0.680 1.00 11.34 H new ATOM 0 HH2 TRP A 66 -11.665 3.362 0.838 1.00 63.32 H new ATOM 1110 N THR A 67 -8.154 2.240 -6.615 1.00 53.23 N ATOM 1111 CA THR A 67 -7.081 2.568 -7.580 1.00 22.43 C ATOM 1112 C THR A 67 -5.874 3.186 -6.858 1.00 51.51 C ATOM 1113 O THR A 67 -6.023 3.881 -5.848 1.00 31.22 O ATOM 1114 CB THR A 67 -7.575 3.529 -8.720 1.00 64.43 C ATOM 1115 OG1 THR A 67 -6.562 3.645 -9.736 1.00 22.02 O ATOM 1116 CG2 THR A 67 -7.936 4.938 -8.202 1.00 14.34 C ATOM 0 H THR A 67 -8.310 2.962 -5.911 1.00 53.23 H new ATOM 0 HA THR A 67 -6.781 1.631 -8.049 1.00 22.43 H new ATOM 0 HB THR A 67 -8.483 3.088 -9.131 1.00 64.43 H new ATOM 0 HG1 THR A 67 -6.877 4.244 -10.445 1.00 22.02 H new ATOM 0 HG21 THR A 67 -8.270 5.557 -9.034 1.00 14.34 H new ATOM 0 HG22 THR A 67 -8.734 4.861 -7.464 1.00 14.34 H new ATOM 0 HG23 THR A 67 -7.059 5.392 -7.742 1.00 14.34 H new ATOM 1124 N VAL A 68 -4.680 2.944 -7.410 1.00 43.33 N ATOM 1125 CA VAL A 68 -3.407 3.371 -6.816 1.00 63.13 C ATOM 1126 C VAL A 68 -3.010 4.744 -7.378 1.00 1.50 C ATOM 1127 O VAL A 68 -2.720 4.868 -8.573 1.00 21.32 O ATOM 1128 CB VAL A 68 -2.290 2.304 -7.113 1.00 11.20 C ATOM 1129 CG1 VAL A 68 -0.915 2.707 -6.517 1.00 54.45 C ATOM 1130 CG2 VAL A 68 -2.746 0.910 -6.621 1.00 72.13 C ATOM 0 H VAL A 68 -4.568 2.441 -8.290 1.00 43.33 H new ATOM 0 HA VAL A 68 -3.521 3.456 -5.735 1.00 63.13 H new ATOM 0 HB VAL A 68 -2.146 2.259 -8.193 1.00 11.20 H new ATOM 0 HG11 VAL A 68 -0.178 1.938 -6.749 1.00 54.45 H new ATOM 0 HG12 VAL A 68 -0.596 3.657 -6.947 1.00 54.45 H new ATOM 0 HG13 VAL A 68 -1.003 2.810 -5.435 1.00 54.45 H new ATOM 0 HG21 VAL A 68 -1.967 0.177 -6.831 1.00 72.13 H new ATOM 0 HG22 VAL A 68 -2.931 0.946 -5.547 1.00 72.13 H new ATOM 0 HG23 VAL A 68 -3.662 0.623 -7.138 1.00 72.13 H new ATOM 1140 N LYS A 69 -3.053 5.767 -6.513 1.00 33.41 N ATOM 1141 CA LYS A 69 -2.653 7.141 -6.852 1.00 63.44 C ATOM 1142 C LYS A 69 -1.129 7.223 -7.051 1.00 52.54 C ATOM 1143 O LYS A 69 -0.653 7.576 -8.137 1.00 72.20 O ATOM 1144 CB LYS A 69 -3.107 8.115 -5.728 1.00 44.53 C ATOM 1145 CG LYS A 69 -4.612 8.042 -5.399 1.00 40.04 C ATOM 1146 CD LYS A 69 -5.534 8.480 -6.564 1.00 75.44 C ATOM 1147 CE LYS A 69 -5.415 9.980 -6.887 1.00 40.32 C ATOM 1148 NZ LYS A 69 -6.496 10.449 -7.799 1.00 61.01 N ATOM 0 H LYS A 69 -3.369 5.663 -5.549 1.00 33.41 H new ATOM 0 HA LYS A 69 -3.136 7.430 -7.786 1.00 63.44 H new ATOM 0 HB2 LYS A 69 -2.538 7.899 -4.824 1.00 44.53 H new ATOM 0 HB3 LYS A 69 -2.860 9.134 -6.024 1.00 44.53 H new ATOM 0 HG2 LYS A 69 -4.862 7.020 -5.116 1.00 40.04 H new ATOM 0 HG3 LYS A 69 -4.815 8.671 -4.532 1.00 40.04 H new ATOM 0 HD2 LYS A 69 -5.288 7.901 -7.454 1.00 75.44 H new ATOM 0 HD3 LYS A 69 -6.568 8.249 -6.309 1.00 75.44 H new ATOM 0 HE2 LYS A 69 -5.450 10.553 -5.960 1.00 40.32 H new ATOM 0 HE3 LYS A 69 -4.446 10.175 -7.346 1.00 40.32 H new ATOM 0 HZ1 LYS A 69 -6.283 11.414 -8.123 1.00 61.01 H new ATOM 0 HZ2 LYS A 69 -6.557 9.814 -8.620 1.00 61.01 H new ATOM 0 HZ3 LYS A 69 -7.404 10.447 -7.291 1.00 61.01 H new ATOM 1162 N ARG A 70 -0.377 6.836 -6.004 1.00 51.22 N ATOM 1163 CA ARG A 70 1.097 6.893 -6.013 1.00 62.34 C ATOM 1164 C ARG A 70 1.696 5.972 -4.938 1.00 62.23 C ATOM 1165 O ARG A 70 1.214 5.934 -3.807 1.00 34.24 O ATOM 1166 CB ARG A 70 1.588 8.359 -5.784 1.00 52.35 C ATOM 1167 CG ARG A 70 3.129 8.538 -5.802 1.00 20.45 C ATOM 1168 CD ARG A 70 3.759 8.104 -7.135 1.00 4.13 C ATOM 1169 NE ARG A 70 5.233 8.157 -7.124 1.00 2.30 N ATOM 1170 CZ ARG A 70 6.018 7.783 -8.158 1.00 15.51 C ATOM 1171 NH1 ARG A 70 5.482 7.330 -9.290 1.00 20.43 N ATOM 1172 NH2 ARG A 70 7.338 7.892 -8.065 1.00 74.43 N ATOM 0 H ARG A 70 -0.770 6.477 -5.134 1.00 51.22 H new ATOM 0 HA ARG A 70 1.436 6.549 -6.990 1.00 62.34 H new ATOM 0 HB2 ARG A 70 1.153 8.997 -6.553 1.00 52.35 H new ATOM 0 HB3 ARG A 70 1.207 8.710 -4.825 1.00 52.35 H new ATOM 0 HG2 ARG A 70 3.372 9.584 -5.613 1.00 20.45 H new ATOM 0 HG3 ARG A 70 3.568 7.957 -4.991 1.00 20.45 H new ATOM 0 HD2 ARG A 70 3.440 7.088 -7.367 1.00 4.13 H new ATOM 0 HD3 ARG A 70 3.384 8.746 -7.933 1.00 4.13 H new ATOM 0 HE ARG A 70 5.690 8.499 -6.279 1.00 2.30 H new ATOM 0 HH11 ARG A 70 4.469 7.262 -9.383 1.00 20.43 H new ATOM 0 HH12 ARG A 70 6.085 7.051 -10.064 1.00 20.43 H new ATOM 0 HH21 ARG A 70 7.761 8.258 -7.212 1.00 74.43 H new ATOM 0 HH22 ARG A 70 7.929 7.609 -8.846 1.00 74.43 H new ATOM 1186 N ILE A 71 2.745 5.224 -5.317 1.00 74.32 N ATOM 1187 CA ILE A 71 3.633 4.560 -4.363 1.00 64.21 C ATOM 1188 C ILE A 71 4.759 5.550 -4.017 1.00 0.21 C ATOM 1189 O ILE A 71 5.659 5.791 -4.832 1.00 14.43 O ATOM 1190 CB ILE A 71 4.247 3.235 -4.958 1.00 2.25 C ATOM 1191 CG1 ILE A 71 3.123 2.267 -5.448 1.00 72.20 C ATOM 1192 CG2 ILE A 71 5.170 2.541 -3.925 1.00 62.51 C ATOM 1193 CD1 ILE A 71 3.629 0.978 -6.074 1.00 22.10 C ATOM 0 H ILE A 71 2.997 5.066 -6.293 1.00 74.32 H new ATOM 0 HA ILE A 71 3.066 4.277 -3.476 1.00 64.21 H new ATOM 0 HB ILE A 71 4.854 3.504 -5.822 1.00 2.25 H new ATOM 0 HG12 ILE A 71 2.482 2.018 -4.603 1.00 72.20 H new ATOM 0 HG13 ILE A 71 2.502 2.790 -6.176 1.00 72.20 H new ATOM 0 HG21 ILE A 71 5.581 1.630 -4.359 1.00 62.51 H new ATOM 0 HG22 ILE A 71 5.984 3.214 -3.655 1.00 62.51 H new ATOM 0 HG23 ILE A 71 4.595 2.291 -3.033 1.00 62.51 H new ATOM 0 HD11 ILE A 71 2.781 0.367 -6.385 1.00 22.10 H new ATOM 0 HD12 ILE A 71 4.245 1.212 -6.942 1.00 22.10 H new ATOM 0 HD13 ILE A 71 4.224 0.428 -5.345 1.00 22.10 H new ATOM 1205 N THR A 72 4.670 6.149 -2.829 1.00 31.14 N ATOM 1206 CA THR A 72 5.665 7.096 -2.326 1.00 44.11 C ATOM 1207 C THR A 72 6.605 6.381 -1.344 1.00 24.30 C ATOM 1208 O THR A 72 6.175 5.890 -0.295 1.00 24.33 O ATOM 1209 CB THR A 72 4.977 8.313 -1.620 1.00 53.33 C ATOM 1210 OG1 THR A 72 4.106 8.971 -2.551 1.00 2.32 O ATOM 1211 CG2 THR A 72 5.993 9.335 -1.061 1.00 42.22 C ATOM 0 H THR A 72 3.897 5.989 -2.183 1.00 31.14 H new ATOM 0 HA THR A 72 6.239 7.476 -3.171 1.00 44.11 H new ATOM 0 HB THR A 72 4.415 7.920 -0.773 1.00 53.33 H new ATOM 0 HG1 THR A 72 3.182 8.920 -2.227 1.00 2.32 H new ATOM 0 HG21 THR A 72 5.458 10.156 -0.583 1.00 42.22 H new ATOM 0 HG22 THR A 72 6.636 8.846 -0.329 1.00 42.22 H new ATOM 0 HG23 THR A 72 6.603 9.725 -1.876 1.00 42.22 H new ATOM 1219 N ARG A 73 7.877 6.280 -1.732 1.00 14.20 N ATOM 1220 CA ARG A 73 8.961 5.844 -0.840 1.00 42.24 C ATOM 1221 C ARG A 73 9.267 6.978 0.168 1.00 64.33 C ATOM 1222 O ARG A 73 9.169 8.161 -0.194 1.00 73.22 O ATOM 1223 CB ARG A 73 10.221 5.529 -1.695 1.00 52.23 C ATOM 1224 CG ARG A 73 11.462 5.081 -0.893 1.00 54.21 C ATOM 1225 CD ARG A 73 12.724 4.932 -1.763 1.00 71.14 C ATOM 1226 NE ARG A 73 13.904 4.592 -0.946 1.00 44.14 N ATOM 1227 CZ ARG A 73 15.071 4.111 -1.411 1.00 74.23 C ATOM 1228 NH1 ARG A 73 15.259 3.901 -2.716 1.00 42.40 N ATOM 1229 NH2 ARG A 73 16.043 3.831 -0.549 1.00 51.23 N ATOM 0 H ARG A 73 8.189 6.499 -2.678 1.00 14.20 H new ATOM 0 HA ARG A 73 8.668 4.948 -0.292 1.00 42.24 H new ATOM 0 HB2 ARG A 73 9.969 4.747 -2.411 1.00 52.23 H new ATOM 0 HB3 ARG A 73 10.481 6.417 -2.271 1.00 52.23 H new ATOM 0 HG2 ARG A 73 11.657 5.806 -0.102 1.00 54.21 H new ATOM 0 HG3 ARG A 73 11.249 4.129 -0.407 1.00 54.21 H new ATOM 0 HD2 ARG A 73 12.562 4.156 -2.512 1.00 71.14 H new ATOM 0 HD3 ARG A 73 12.908 5.861 -2.302 1.00 71.14 H new ATOM 0 HE ARG A 73 13.828 4.734 0.061 1.00 44.14 H new ATOM 0 HH11 ARG A 73 14.511 4.106 -3.378 1.00 42.40 H new ATOM 0 HH12 ARG A 73 16.151 3.536 -3.051 1.00 42.40 H new ATOM 0 HH21 ARG A 73 15.898 3.981 0.449 1.00 51.23 H new ATOM 0 HH22 ARG A 73 16.934 3.466 -0.886 1.00 51.23 H new ATOM 1243 N THR A 74 9.623 6.631 1.418 1.00 63.43 N ATOM 1244 CA THR A 74 10.109 7.626 2.393 1.00 61.23 C ATOM 1245 C THR A 74 11.491 8.139 1.933 1.00 22.41 C ATOM 1246 O THR A 74 12.297 7.362 1.392 1.00 2.15 O ATOM 1247 CB THR A 74 10.180 7.038 3.848 1.00 55.43 C ATOM 1248 OG1 THR A 74 10.535 8.066 4.789 1.00 62.31 O ATOM 1249 CG2 THR A 74 11.187 5.885 3.972 1.00 52.24 C ATOM 0 H THR A 74 9.584 5.677 1.776 1.00 63.43 H new ATOM 0 HA THR A 74 9.402 8.455 2.431 1.00 61.23 H new ATOM 0 HB THR A 74 9.187 6.646 4.069 1.00 55.43 H new ATOM 0 HG1 THR A 74 10.574 7.685 5.691 1.00 62.31 H new ATOM 0 HG21 THR A 74 11.195 5.517 4.998 1.00 52.24 H new ATOM 0 HG22 THR A 74 10.900 5.077 3.299 1.00 52.24 H new ATOM 0 HG23 THR A 74 12.182 6.241 3.707 1.00 52.24 H new ATOM 1257 N VAL A 75 11.746 9.446 2.106 1.00 53.22 N ATOM 1258 CA VAL A 75 12.994 10.074 1.652 1.00 51.34 C ATOM 1259 C VAL A 75 14.155 9.553 2.526 1.00 22.34 C ATOM 1260 O VAL A 75 14.308 9.979 3.679 1.00 61.44 O ATOM 1261 CB VAL A 75 12.904 11.649 1.726 1.00 44.31 C ATOM 1262 CG1 VAL A 75 14.144 12.327 1.092 1.00 31.42 C ATOM 1263 CG2 VAL A 75 11.592 12.167 1.084 1.00 71.03 C ATOM 0 H VAL A 75 11.099 10.090 2.560 1.00 53.22 H new ATOM 0 HA VAL A 75 13.169 9.811 0.609 1.00 51.34 H new ATOM 0 HB VAL A 75 12.891 11.922 2.781 1.00 44.31 H new ATOM 0 HG11 VAL A 75 14.043 13.410 1.163 1.00 31.42 H new ATOM 0 HG12 VAL A 75 15.042 12.011 1.622 1.00 31.42 H new ATOM 0 HG13 VAL A 75 14.221 12.038 0.044 1.00 31.42 H new ATOM 0 HG21 VAL A 75 11.559 13.254 1.150 1.00 71.03 H new ATOM 0 HG22 VAL A 75 11.556 11.866 0.037 1.00 71.03 H new ATOM 0 HG23 VAL A 75 10.737 11.745 1.613 1.00 71.03 H new ATOM 1273 N GLY A 76 14.911 8.579 1.984 1.00 51.42 N ATOM 1274 CA GLY A 76 16.082 8.016 2.662 1.00 34.53 C ATOM 1275 C GLY A 76 17.219 9.015 2.721 1.00 23.55 C ATOM 1276 O GLY A 76 17.695 9.383 3.803 1.00 5.25 O ATOM 0 H GLY A 76 14.725 8.166 1.070 1.00 51.42 H new ATOM 0 HA2 GLY A 76 15.809 7.713 3.673 1.00 34.53 H new ATOM 0 HA3 GLY A 76 16.411 7.118 2.138 1.00 34.53 H new ATOM 1280 N SER A 77 17.623 9.470 1.532 1.00 31.33 N ATOM 1281 CA SER A 77 18.611 10.539 1.354 1.00 34.03 C ATOM 1282 C SER A 77 18.384 11.223 0.000 1.00 11.30 C ATOM 1283 O SER A 77 17.784 10.641 -0.919 1.00 31.32 O ATOM 1284 CB SER A 77 20.068 10.004 1.443 1.00 74.23 C ATOM 1285 OG SER A 77 20.344 9.449 2.721 1.00 34.10 O ATOM 0 H SER A 77 17.267 9.100 0.651 1.00 31.33 H new ATOM 0 HA SER A 77 18.479 11.259 2.162 1.00 34.03 H new ATOM 0 HB2 SER A 77 20.226 9.247 0.675 1.00 74.23 H new ATOM 0 HB3 SER A 77 20.767 10.815 1.239 1.00 74.23 H new ATOM 0 HG SER A 77 19.539 9.495 3.279 1.00 34.10 H new ATOM 1291 N LEU A 78 18.876 12.462 -0.100 1.00 60.42 N ATOM 1292 CA LEU A 78 18.853 13.264 -1.333 1.00 54.45 C ATOM 1293 C LEU A 78 19.985 14.304 -1.271 1.00 34.04 C ATOM 1294 O LEU A 78 20.621 14.487 -0.223 1.00 61.41 O ATOM 1295 CB LEU A 78 17.465 13.955 -1.569 1.00 3.13 C ATOM 1296 CG LEU A 78 17.078 15.184 -0.668 1.00 34.44 C ATOM 1297 CD1 LEU A 78 15.747 15.818 -1.145 1.00 70.04 C ATOM 1298 CD2 LEU A 78 16.998 14.814 0.832 1.00 65.11 C ATOM 0 H LEU A 78 19.310 12.946 0.686 1.00 60.42 H new ATOM 0 HA LEU A 78 19.009 12.598 -2.182 1.00 54.45 H new ATOM 0 HB2 LEU A 78 17.429 14.281 -2.608 1.00 3.13 H new ATOM 0 HB3 LEU A 78 16.692 13.197 -1.446 1.00 3.13 H new ATOM 0 HG LEU A 78 17.876 15.919 -0.775 1.00 34.44 H new ATOM 0 HD11 LEU A 78 15.499 16.666 -0.507 1.00 70.04 H new ATOM 0 HD12 LEU A 78 15.854 16.158 -2.175 1.00 70.04 H new ATOM 0 HD13 LEU A 78 14.950 15.077 -1.089 1.00 70.04 H new ATOM 0 HD21 LEU A 78 16.728 15.697 1.411 1.00 65.11 H new ATOM 0 HD22 LEU A 78 16.244 14.041 0.976 1.00 65.11 H new ATOM 0 HD23 LEU A 78 17.967 14.443 1.167 1.00 65.11 H new ATOM 1310 N GLU A 79 20.222 14.996 -2.386 1.00 63.22 N ATOM 1311 CA GLU A 79 21.282 16.007 -2.502 1.00 4.31 C ATOM 1312 C GLU A 79 20.743 17.228 -3.253 1.00 44.20 C ATOM 1313 O GLU A 79 19.929 17.091 -4.181 1.00 44.34 O ATOM 1314 CB GLU A 79 22.549 15.416 -3.201 1.00 64.02 C ATOM 1315 CG GLU A 79 22.350 14.881 -4.641 1.00 11.15 C ATOM 1316 CD GLU A 79 21.480 13.608 -4.736 1.00 4.22 C ATOM 1317 OE1 GLU A 79 21.985 12.510 -4.413 1.00 3.12 O ATOM 1318 OE2 GLU A 79 20.290 13.698 -5.120 1.00 11.24 O ATOM 0 H GLU A 79 19.682 14.872 -3.242 1.00 63.22 H new ATOM 0 HA GLU A 79 21.588 16.320 -1.504 1.00 4.31 H new ATOM 0 HB2 GLU A 79 23.318 16.188 -3.226 1.00 64.02 H new ATOM 0 HB3 GLU A 79 22.933 14.604 -2.584 1.00 64.02 H new ATOM 0 HG2 GLU A 79 21.893 15.664 -5.246 1.00 11.15 H new ATOM 0 HG3 GLU A 79 23.327 14.671 -5.076 1.00 11.15 H new ATOM 1325 N HIS A 80 21.172 18.429 -2.824 1.00 54.15 N ATOM 1326 CA HIS A 80 20.793 19.691 -3.481 1.00 23.51 C ATOM 1327 C HIS A 80 21.598 19.864 -4.781 1.00 74.10 C ATOM 1328 O HIS A 80 22.571 19.139 -5.017 1.00 11.25 O ATOM 1329 CB HIS A 80 20.995 20.903 -2.521 1.00 4.04 C ATOM 1330 CG HIS A 80 22.419 21.165 -2.067 1.00 1.22 C ATOM 1331 ND1 HIS A 80 22.884 20.834 -0.808 1.00 3.50 N ATOM 1332 CD2 HIS A 80 23.461 21.783 -2.683 1.00 74.51 C ATOM 1333 CE1 HIS A 80 24.134 21.236 -0.680 1.00 53.41 C ATOM 1334 NE2 HIS A 80 24.507 21.807 -1.800 1.00 74.32 N ATOM 0 H HIS A 80 21.786 18.551 -2.019 1.00 54.15 H new ATOM 0 HA HIS A 80 19.733 19.653 -3.734 1.00 23.51 H new ATOM 0 HB2 HIS A 80 20.623 21.799 -3.017 1.00 4.04 H new ATOM 0 HB3 HIS A 80 20.376 20.747 -1.637 1.00 4.04 H new ATOM 0 HD2 HIS A 80 23.463 22.182 -3.686 1.00 74.51 H new ATOM 0 HE1 HIS A 80 24.748 21.115 0.200 1.00 53.41 H new ATOM 0 HE2 HIS A 80 25.428 22.205 -1.984 1.00 74.32 H new ATOM 1343 N HIS A 81 21.175 20.809 -5.626 1.00 22.21 N ATOM 1344 CA HIS A 81 21.927 21.197 -6.833 1.00 22.13 C ATOM 1345 C HIS A 81 23.066 22.154 -6.437 1.00 62.45 C ATOM 1346 O HIS A 81 22.860 23.040 -5.600 1.00 31.43 O ATOM 1347 CB HIS A 81 20.980 21.847 -7.879 1.00 45.14 C ATOM 1348 CG HIS A 81 19.948 20.892 -8.437 1.00 13.25 C ATOM 1349 ND1 HIS A 81 18.587 21.132 -8.403 1.00 55.40 N ATOM 1350 CD2 HIS A 81 20.090 19.693 -9.057 1.00 61.25 C ATOM 1351 CE1 HIS A 81 17.945 20.129 -8.973 1.00 63.12 C ATOM 1352 NE2 HIS A 81 18.833 19.249 -9.377 1.00 14.53 N ATOM 0 H HIS A 81 20.306 21.327 -5.498 1.00 22.21 H new ATOM 0 HA HIS A 81 22.361 20.309 -7.293 1.00 22.13 H new ATOM 0 HB2 HIS A 81 20.469 22.692 -7.418 1.00 45.14 H new ATOM 0 HB3 HIS A 81 21.577 22.244 -8.700 1.00 45.14 H new ATOM 0 HD2 HIS A 81 21.020 19.183 -9.260 1.00 61.25 H new ATOM 0 HE1 HIS A 81 16.874 20.046 -9.087 1.00 63.12 H new ATOM 0 HE2 HIS A 81 18.621 18.373 -9.854 1.00 14.53 H new ATOM 1361 N HIS A 82 24.251 21.978 -7.072 1.00 12.30 N ATOM 1362 CA HIS A 82 25.516 22.676 -6.694 1.00 74.50 C ATOM 1363 C HIS A 82 25.412 24.213 -6.815 1.00 32.31 C ATOM 1364 O HIS A 82 26.232 24.944 -6.255 1.00 11.13 O ATOM 1365 CB HIS A 82 26.704 22.140 -7.546 1.00 40.44 C ATOM 1366 CG HIS A 82 26.623 22.473 -9.016 1.00 24.44 C ATOM 1367 ND1 HIS A 82 27.000 23.697 -9.532 1.00 63.52 N ATOM 1368 CD2 HIS A 82 26.189 21.745 -10.077 1.00 10.43 C ATOM 1369 CE1 HIS A 82 26.796 23.708 -10.832 1.00 32.21 C ATOM 1370 NE2 HIS A 82 26.307 22.540 -11.188 1.00 62.33 N ATOM 0 H HIS A 82 24.362 21.346 -7.865 1.00 12.30 H new ATOM 0 HA HIS A 82 25.697 22.457 -5.642 1.00 74.50 H new ATOM 0 HB2 HIS A 82 27.633 22.545 -7.146 1.00 40.44 H new ATOM 0 HB3 HIS A 82 26.755 21.057 -7.434 1.00 40.44 H new ATOM 0 HD2 HIS A 82 25.820 20.730 -10.051 1.00 10.43 H new ATOM 0 HE1 HIS A 82 26.996 24.537 -11.495 1.00 32.21 H new ATOM 0 HE2 HIS A 82 26.056 22.269 -12.139 1.00 62.33 H new ATOM 1379 N HIS A 83 24.411 24.684 -7.563 1.00 30.11 N ATOM 1380 CA HIS A 83 24.120 26.109 -7.732 1.00 13.53 C ATOM 1381 C HIS A 83 22.629 26.339 -7.451 1.00 65.01 C ATOM 1382 O HIS A 83 21.784 25.992 -8.287 1.00 0.11 O ATOM 1383 CB HIS A 83 24.496 26.552 -9.170 1.00 73.31 C ATOM 1384 CG HIS A 83 24.318 28.027 -9.439 1.00 74.41 C ATOM 1385 ND1 HIS A 83 23.535 28.530 -10.464 1.00 45.24 N ATOM 1386 CD2 HIS A 83 24.849 29.112 -8.821 1.00 23.41 C ATOM 1387 CE1 HIS A 83 23.594 29.847 -10.459 1.00 53.43 C ATOM 1388 NE2 HIS A 83 24.380 30.221 -9.475 1.00 1.44 N ATOM 0 H HIS A 83 23.771 24.077 -8.075 1.00 30.11 H new ATOM 0 HA HIS A 83 24.708 26.705 -7.035 1.00 13.53 H new ATOM 0 HB2 HIS A 83 25.536 26.284 -9.359 1.00 73.31 H new ATOM 0 HB3 HIS A 83 23.889 25.991 -9.880 1.00 73.31 H new ATOM 0 HD2 HIS A 83 25.517 29.103 -7.972 1.00 23.41 H new ATOM 0 HE1 HIS A 83 23.084 30.506 -11.146 1.00 53.43 H new ATOM 0 HE2 HIS A 83 24.606 31.186 -9.235 1.00 1.44 H new ATOM 1397 N HIS A 84 22.308 26.886 -6.260 1.00 43.32 N ATOM 1398 CA HIS A 84 20.917 27.169 -5.859 1.00 71.45 C ATOM 1399 C HIS A 84 20.797 28.612 -5.359 1.00 4.31 C ATOM 1400 O HIS A 84 21.236 28.936 -4.248 1.00 72.11 O ATOM 1401 CB HIS A 84 20.427 26.174 -4.769 1.00 1.22 C ATOM 1402 CG HIS A 84 18.968 26.348 -4.373 1.00 44.54 C ATOM 1403 ND1 HIS A 84 17.939 25.641 -4.965 1.00 2.10 N ATOM 1404 CD2 HIS A 84 18.369 27.144 -3.441 1.00 13.31 C ATOM 1405 CE1 HIS A 84 16.786 25.995 -4.422 1.00 63.54 C ATOM 1406 NE2 HIS A 84 17.020 26.902 -3.497 1.00 11.15 N ATOM 0 H HIS A 84 23.000 27.141 -5.556 1.00 43.32 H new ATOM 0 HA HIS A 84 20.280 27.041 -6.734 1.00 71.45 H new ATOM 0 HB2 HIS A 84 20.574 25.156 -5.130 1.00 1.22 H new ATOM 0 HB3 HIS A 84 21.049 26.291 -3.881 1.00 1.22 H new ATOM 0 HD2 HIS A 84 18.866 27.838 -2.780 1.00 13.31 H new ATOM 0 HE1 HIS A 84 15.816 25.605 -4.692 1.00 63.54 H new ATOM 0 HE2 HIS A 84 16.313 27.352 -2.916 1.00 11.15 H new ATOM 1415 N HIS A 85 20.246 29.477 -6.212 1.00 2.33 N ATOM 1416 CA HIS A 85 19.839 30.836 -5.841 1.00 62.53 C ATOM 1417 C HIS A 85 18.394 30.764 -5.292 1.00 41.31 C ATOM 1418 O HIS A 85 17.453 30.618 -6.104 1.00 62.22 O ATOM 1419 CB HIS A 85 19.954 31.777 -7.074 1.00 44.32 C ATOM 1420 CG HIS A 85 19.436 33.179 -6.861 1.00 70.22 C ATOM 1421 ND1 HIS A 85 20.180 34.180 -6.273 1.00 70.41 N ATOM 1422 CD2 HIS A 85 18.230 33.746 -7.155 1.00 31.42 C ATOM 1423 CE1 HIS A 85 19.466 35.287 -6.216 1.00 4.52 C ATOM 1424 NE2 HIS A 85 18.284 35.052 -6.741 1.00 31.21 N ATOM 1425 OXT HIS A 85 18.210 30.810 -4.057 1.00 37.67 O ATOM 0 H HIS A 85 20.067 29.253 -7.191 1.00 2.33 H new ATOM 0 HA HIS A 85 20.489 31.247 -5.069 1.00 62.53 H new ATOM 0 HB2 HIS A 85 21.001 31.835 -7.371 1.00 44.32 H new ATOM 0 HB3 HIS A 85 19.411 31.328 -7.906 1.00 44.32 H new ATOM 0 HD2 HIS A 85 17.390 33.257 -7.626 1.00 31.42 H new ATOM 0 HE1 HIS A 85 19.797 36.230 -5.806 1.00 4.52 H new ATOM 0 HE2 HIS A 85 17.528 35.732 -6.827 1.00 31.21 H new TER 1434 HIS A 85