USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 834 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 59 SER OG : rot 180:sc= 0.385 USER MOD Set 1.2: A 97 THR OG1 : rot -65:sc= 0.478 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.882 K(o=0.94,f=-4.4) USER MOD Set 2.2: A 45 LYS NZ :NH3+ -144:sc= 0.055 (180deg=0.026) USER MOD Set 3.1: A 16 ASN : amide:sc= 0.644 X(o=2.9,f=3) USER MOD Set 3.2: A 56 SER OG : rot 48:sc= 0.509 USER MOD Set 3.3: A 58 THR OG1 : rot 180:sc= 1.38 USER MOD Set 3.4: A 79 TYR OH : rot 51:sc= 0.391 USER MOD Single : A 1 MET CE :methyl -157:sc= -0.159 (180deg=-0.709) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= -0.25! C(o=-0.25!,f=-5!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 4 HIS : no HD1:sc=-0.00538 X(o=-0.0054,f=-0.0054) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc=-0.00238 X(o=-0.0024,f=0) USER MOD Single : A 18 ASN : amide:sc= 0.0606 K(o=0.061,f=1.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0452 K(o=-0.045,f=-1.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 120:sc= -0.225 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 96:sc= 0.0196 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 0.593 (180deg=0.422) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 138:sc= 0.73 (180deg=0.0625) USER MOD Single : A 51 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.077) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= -0.0251 (180deg=-0.148) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -90:sc= -2.33 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0498) USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= 3.16 (180deg=2.23) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 74:sc= 0.296 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.185 34.980 -9.737 1.00 34.33 N ATOM 2 CA MET A 1 -15.535 34.993 -8.303 1.00 0.55 C ATOM 3 C MET A 1 -14.467 34.209 -7.525 1.00 10.51 C ATOM 4 O MET A 1 -13.717 34.789 -6.728 1.00 71.20 O ATOM 5 CB MET A 1 -16.968 34.431 -8.105 1.00 53.43 C ATOM 6 CG MET A 1 -17.482 34.389 -6.648 1.00 2.44 C ATOM 7 SD MET A 1 -16.874 32.974 -5.704 1.00 14.33 S ATOM 8 CE MET A 1 -17.619 31.596 -6.579 1.00 32.42 C ATOM 0 H1 MET A 1 -15.902 35.508 -10.274 1.00 34.33 H new ATOM 0 H2 MET A 1 -14.254 35.425 -9.871 1.00 34.33 H new ATOM 0 H3 MET A 1 -15.152 33.998 -10.077 1.00 34.33 H new ATOM 0 HA MET A 1 -15.545 36.011 -7.913 1.00 0.55 H new ATOM 0 HB2 MET A 1 -17.658 35.033 -8.696 1.00 53.43 H new ATOM 0 HB3 MET A 1 -17.000 33.420 -8.510 1.00 53.43 H new ATOM 0 HG2 MET A 1 -17.186 35.307 -6.141 1.00 2.44 H new ATOM 0 HG3 MET A 1 -18.572 34.367 -6.657 1.00 2.44 H new ATOM 0 HE1 MET A 1 -17.683 30.735 -5.914 1.00 32.42 H new ATOM 0 HE2 MET A 1 -18.619 31.874 -6.911 1.00 32.42 H new ATOM 0 HE3 MET A 1 -17.008 31.341 -7.445 1.00 32.42 H new ATOM 20 N HIS A 2 -14.386 32.886 -7.770 1.00 30.32 N ATOM 21 CA HIS A 2 -13.278 32.031 -7.276 1.00 73.44 C ATOM 22 C HIS A 2 -12.981 30.944 -8.314 1.00 31.41 C ATOM 23 O HIS A 2 -13.902 30.299 -8.815 1.00 12.01 O ATOM 24 CB HIS A 2 -13.593 31.386 -5.889 1.00 55.11 C ATOM 25 CG HIS A 2 -13.502 32.342 -4.721 1.00 53.35 C ATOM 26 ND1 HIS A 2 -14.578 32.672 -3.923 1.00 73.24 N ATOM 27 CD2 HIS A 2 -12.449 33.040 -4.227 1.00 62.43 C ATOM 28 CE1 HIS A 2 -14.191 33.521 -2.994 1.00 32.42 C ATOM 29 NE2 HIS A 2 -12.910 33.763 -3.159 1.00 5.12 N ATOM 0 H HIS A 2 -15.083 32.377 -8.314 1.00 30.32 H new ATOM 0 HA HIS A 2 -12.403 32.665 -7.134 1.00 73.44 H new ATOM 0 HB2 HIS A 2 -14.597 30.962 -5.919 1.00 55.11 H new ATOM 0 HB3 HIS A 2 -12.903 30.559 -5.721 1.00 55.11 H new ATOM 0 HD1 HIS A 2 -15.526 32.314 -4.035 1.00 73.24 H new ATOM 0 HD2 HIS A 2 -11.437 33.028 -4.605 1.00 62.43 H new ATOM 0 HE1 HIS A 2 -14.820 33.947 -2.226 1.00 32.42 H new ATOM 38 N HIS A 3 -11.699 30.761 -8.646 1.00 72.02 N ATOM 39 CA HIS A 3 -11.252 29.753 -9.617 1.00 30.12 C ATOM 40 C HIS A 3 -9.958 29.102 -9.100 1.00 72.53 C ATOM 41 O HIS A 3 -8.876 29.700 -9.175 1.00 61.50 O ATOM 42 CB HIS A 3 -11.047 30.412 -11.010 1.00 52.30 C ATOM 43 CG HIS A 3 -10.558 29.464 -12.082 1.00 4.53 C ATOM 44 ND1 HIS A 3 -9.373 29.644 -12.758 1.00 74.31 N ATOM 45 CD2 HIS A 3 -11.108 28.336 -12.602 1.00 14.21 C ATOM 46 CE1 HIS A 3 -9.218 28.682 -13.640 1.00 45.40 C ATOM 47 NE2 HIS A 3 -10.253 27.876 -13.569 1.00 42.24 N ATOM 0 H HIS A 3 -10.937 31.310 -8.248 1.00 72.02 H new ATOM 0 HA HIS A 3 -12.008 28.977 -9.731 1.00 30.12 H new ATOM 0 HB2 HIS A 3 -11.991 30.851 -11.333 1.00 52.30 H new ATOM 0 HB3 HIS A 3 -10.332 31.229 -10.911 1.00 52.30 H new ATOM 0 HD2 HIS A 3 -12.045 27.886 -12.308 1.00 14.21 H new ATOM 0 HE1 HIS A 3 -8.379 28.572 -14.311 1.00 45.40 H new ATOM 0 HE2 HIS A 3 -10.397 27.043 -14.141 1.00 42.24 H new ATOM 56 N HIS A 4 -10.096 27.880 -8.552 1.00 35.00 N ATOM 57 CA HIS A 4 -8.980 27.116 -7.978 1.00 1.51 C ATOM 58 C HIS A 4 -9.329 25.620 -7.972 1.00 51.53 C ATOM 59 O HIS A 4 -10.508 25.256 -7.900 1.00 1.41 O ATOM 60 CB HIS A 4 -8.663 27.619 -6.543 1.00 11.15 C ATOM 61 CG HIS A 4 -7.432 27.007 -5.936 1.00 73.34 C ATOM 62 ND1 HIS A 4 -6.165 27.303 -6.378 1.00 73.31 N ATOM 63 CD2 HIS A 4 -7.280 26.074 -4.967 1.00 64.54 C ATOM 64 CE1 HIS A 4 -5.294 26.580 -5.720 1.00 63.11 C ATOM 65 NE2 HIS A 4 -5.940 25.826 -4.858 1.00 42.43 N ATOM 0 H HIS A 4 -10.992 27.395 -8.496 1.00 35.00 H new ATOM 0 HA HIS A 4 -8.090 27.264 -8.589 1.00 1.51 H new ATOM 0 HB2 HIS A 4 -8.543 28.702 -6.568 1.00 11.15 H new ATOM 0 HB3 HIS A 4 -9.516 27.407 -5.899 1.00 11.15 H new ATOM 0 HD2 HIS A 4 -8.068 25.613 -4.390 1.00 64.54 H new ATOM 0 HE1 HIS A 4 -4.224 26.600 -5.862 1.00 63.11 H new ATOM 0 HE2 HIS A 4 -5.511 25.163 -4.212 1.00 42.43 H new ATOM 74 N HIS A 5 -8.299 24.758 -8.050 1.00 53.44 N ATOM 75 CA HIS A 5 -8.471 23.292 -8.126 1.00 71.13 C ATOM 76 C HIS A 5 -7.591 22.592 -7.073 1.00 3.53 C ATOM 77 O HIS A 5 -6.539 23.114 -6.683 1.00 43.52 O ATOM 78 CB HIS A 5 -8.119 22.789 -9.549 1.00 12.35 C ATOM 79 CG HIS A 5 -8.988 23.366 -10.640 1.00 62.02 C ATOM 80 ND1 HIS A 5 -10.197 22.818 -11.013 1.00 44.13 N ATOM 81 CD2 HIS A 5 -8.829 24.466 -11.420 1.00 20.41 C ATOM 82 CE1 HIS A 5 -10.735 23.550 -11.967 1.00 51.31 C ATOM 83 NE2 HIS A 5 -9.928 24.555 -12.232 1.00 4.42 N ATOM 0 H HIS A 5 -7.324 25.056 -8.062 1.00 53.44 H new ATOM 0 HA HIS A 5 -9.513 23.049 -7.917 1.00 71.13 H new ATOM 0 HB2 HIS A 5 -7.078 23.033 -9.762 1.00 12.35 H new ATOM 0 HB3 HIS A 5 -8.203 21.702 -9.569 1.00 12.35 H new ATOM 0 HD2 HIS A 5 -7.990 25.146 -11.403 1.00 20.41 H new ATOM 0 HE1 HIS A 5 -11.681 23.357 -12.451 1.00 51.31 H new ATOM 0 HE2 HIS A 5 -10.094 25.282 -12.928 1.00 4.42 H new ATOM 92 N HIS A 6 -8.033 21.401 -6.628 1.00 31.42 N ATOM 93 CA HIS A 6 -7.330 20.591 -5.607 1.00 3.11 C ATOM 94 C HIS A 6 -6.464 19.514 -6.291 1.00 21.53 C ATOM 95 O HIS A 6 -6.971 18.723 -7.091 1.00 34.42 O ATOM 96 CB HIS A 6 -8.357 19.927 -4.649 1.00 44.32 C ATOM 97 CG HIS A 6 -9.157 20.914 -3.832 1.00 3.25 C ATOM 98 ND1 HIS A 6 -10.357 21.447 -4.253 1.00 21.22 N ATOM 99 CD2 HIS A 6 -8.914 21.470 -2.619 1.00 31.14 C ATOM 100 CE1 HIS A 6 -10.809 22.282 -3.342 1.00 32.22 C ATOM 101 NE2 HIS A 6 -9.954 22.314 -2.345 1.00 2.45 N ATOM 0 H HIS A 6 -8.892 20.968 -6.967 1.00 31.42 H new ATOM 0 HA HIS A 6 -6.681 21.245 -5.024 1.00 3.11 H new ATOM 0 HB2 HIS A 6 -9.043 19.315 -5.235 1.00 44.32 H new ATOM 0 HB3 HIS A 6 -7.828 19.255 -3.973 1.00 44.32 H new ATOM 0 HD2 HIS A 6 -8.059 21.281 -1.987 1.00 31.14 H new ATOM 0 HE1 HIS A 6 -11.728 22.846 -3.403 1.00 32.22 H new ATOM 0 HE2 HIS A 6 -10.051 22.879 -1.501 1.00 2.45 H new ATOM 110 N HIS A 7 -5.161 19.488 -5.963 1.00 72.03 N ATOM 111 CA HIS A 7 -4.189 18.553 -6.573 1.00 64.34 C ATOM 112 C HIS A 7 -3.093 18.170 -5.563 1.00 24.11 C ATOM 113 O HIS A 7 -3.057 18.685 -4.440 1.00 31.42 O ATOM 114 CB HIS A 7 -3.566 19.189 -7.846 1.00 63.14 C ATOM 115 CG HIS A 7 -2.663 20.380 -7.600 1.00 73.44 C ATOM 116 ND1 HIS A 7 -3.109 21.684 -7.593 1.00 12.44 N ATOM 117 CD2 HIS A 7 -1.324 20.454 -7.365 1.00 42.20 C ATOM 118 CE1 HIS A 7 -2.088 22.497 -7.375 1.00 25.01 C ATOM 119 NE2 HIS A 7 -1.000 21.777 -7.230 1.00 34.12 N ATOM 0 H HIS A 7 -4.748 20.112 -5.269 1.00 72.03 H new ATOM 0 HA HIS A 7 -4.714 17.642 -6.859 1.00 64.34 H new ATOM 0 HB2 HIS A 7 -2.995 18.424 -8.372 1.00 63.14 H new ATOM 0 HB3 HIS A 7 -4.373 19.497 -8.510 1.00 63.14 H new ATOM 0 HD2 HIS A 7 -0.641 19.620 -7.297 1.00 42.20 H new ATOM 0 HE1 HIS A 7 -2.141 23.575 -7.325 1.00 25.01 H new ATOM 0 HE2 HIS A 7 -0.066 22.143 -7.047 1.00 34.12 H new ATOM 128 N ARG A 8 -2.182 17.273 -5.988 1.00 2.33 N ATOM 129 CA ARG A 8 -1.036 16.843 -5.172 1.00 55.31 C ATOM 130 C ARG A 8 0.270 16.944 -5.969 1.00 32.24 C ATOM 131 O ARG A 8 0.529 16.131 -6.865 1.00 4.40 O ATOM 132 CB ARG A 8 -1.255 15.396 -4.632 1.00 21.12 C ATOM 133 CG ARG A 8 -2.288 15.314 -3.492 1.00 53.34 C ATOM 134 CD ARG A 8 -2.457 13.900 -2.914 1.00 44.32 C ATOM 135 NE ARG A 8 -3.162 13.949 -1.625 1.00 63.34 N ATOM 136 CZ ARG A 8 -2.607 13.657 -0.443 1.00 34.52 C ATOM 137 NH1 ARG A 8 -1.336 13.268 -0.366 1.00 24.23 N ATOM 138 NH2 ARG A 8 -3.306 13.786 0.669 1.00 43.05 N ATOM 0 H ARG A 8 -2.222 16.828 -6.905 1.00 2.33 H new ATOM 0 HA ARG A 8 -0.956 17.513 -4.316 1.00 55.31 H new ATOM 0 HB2 ARG A 8 -1.580 14.756 -5.452 1.00 21.12 H new ATOM 0 HB3 ARG A 8 -0.303 15.001 -4.278 1.00 21.12 H new ATOM 0 HG2 ARG A 8 -1.988 15.991 -2.692 1.00 53.34 H new ATOM 0 HG3 ARG A 8 -3.252 15.664 -3.861 1.00 53.34 H new ATOM 0 HD2 ARG A 8 -3.013 13.279 -3.616 1.00 44.32 H new ATOM 0 HD3 ARG A 8 -1.480 13.436 -2.783 1.00 44.32 H new ATOM 0 HE ARG A 8 -4.144 14.225 -1.632 1.00 63.34 H new ATOM 0 HH11 ARG A 8 -0.774 13.190 -1.214 1.00 24.23 H new ATOM 0 HH12 ARG A 8 -0.924 13.048 0.541 1.00 24.23 H new ATOM 0 HH21 ARG A 8 -4.273 14.109 0.629 1.00 43.05 H new ATOM 0 HH22 ARG A 8 -2.880 13.562 1.568 1.00 43.05 H new ATOM 152 N SER A 9 1.069 17.976 -5.640 1.00 55.12 N ATOM 153 CA SER A 9 2.432 18.130 -6.146 1.00 5.01 C ATOM 154 C SER A 9 3.326 17.092 -5.431 1.00 72.12 C ATOM 155 O SER A 9 3.600 17.215 -4.226 1.00 31.21 O ATOM 156 CB SER A 9 2.932 19.580 -5.904 1.00 31.11 C ATOM 157 OG SER A 9 4.186 19.815 -6.524 1.00 73.35 O ATOM 0 H SER A 9 0.779 18.726 -5.012 1.00 55.12 H new ATOM 0 HA SER A 9 2.467 17.955 -7.221 1.00 5.01 H new ATOM 0 HB2 SER A 9 2.198 20.287 -6.290 1.00 31.11 H new ATOM 0 HB3 SER A 9 3.017 19.761 -4.833 1.00 31.11 H new ATOM 0 HG SER A 9 4.468 20.738 -6.352 1.00 73.35 H new ATOM 163 N GLY A 10 3.759 16.074 -6.182 1.00 54.30 N ATOM 164 CA GLY A 10 4.364 14.877 -5.606 1.00 73.30 C ATOM 165 C GLY A 10 3.305 13.814 -5.436 1.00 23.23 C ATOM 166 O GLY A 10 2.804 13.583 -4.324 1.00 4.44 O ATOM 0 H GLY A 10 3.699 16.060 -7.200 1.00 54.30 H new ATOM 0 HA2 GLY A 10 5.162 14.512 -6.253 1.00 73.30 H new ATOM 0 HA3 GLY A 10 4.817 15.112 -4.643 1.00 73.30 H new ATOM 170 N ASP A 11 2.946 13.205 -6.574 1.00 13.33 N ATOM 171 CA ASP A 11 1.846 12.241 -6.685 1.00 41.44 C ATOM 172 C ASP A 11 2.150 10.961 -5.885 1.00 62.21 C ATOM 173 O ASP A 11 3.309 10.546 -5.762 1.00 22.52 O ATOM 174 CB ASP A 11 1.599 11.890 -8.177 1.00 22.11 C ATOM 175 CG ASP A 11 1.375 13.124 -9.070 1.00 22.12 C ATOM 176 OD1 ASP A 11 0.247 13.672 -9.084 1.00 54.31 O ATOM 177 OD2 ASP A 11 2.327 13.550 -9.764 1.00 73.24 O ATOM 0 H ASP A 11 3.422 13.373 -7.460 1.00 13.33 H new ATOM 0 HA ASP A 11 0.948 12.697 -6.268 1.00 41.44 H new ATOM 0 HB2 ASP A 11 2.452 11.328 -8.556 1.00 22.11 H new ATOM 0 HB3 ASP A 11 0.729 11.237 -8.249 1.00 22.11 H new ATOM 182 N ILE A 12 1.090 10.351 -5.361 1.00 21.44 N ATOM 183 CA ILE A 12 1.171 9.143 -4.531 1.00 11.55 C ATOM 184 C ILE A 12 1.436 7.906 -5.426 1.00 31.21 C ATOM 185 O ILE A 12 0.529 7.422 -6.111 1.00 74.52 O ATOM 186 CB ILE A 12 -0.181 8.956 -3.743 1.00 23.43 C ATOM 187 CG1 ILE A 12 -0.567 10.248 -2.951 1.00 42.03 C ATOM 188 CG2 ILE A 12 -0.104 7.744 -2.800 1.00 13.11 C ATOM 189 CD1 ILE A 12 -1.966 10.226 -2.342 1.00 35.13 C ATOM 0 H ILE A 12 0.136 10.683 -5.500 1.00 21.44 H new ATOM 0 HA ILE A 12 1.991 9.247 -3.820 1.00 11.55 H new ATOM 0 HB ILE A 12 -0.965 8.770 -4.478 1.00 23.43 H new ATOM 0 HG12 ILE A 12 0.160 10.400 -2.153 1.00 42.03 H new ATOM 0 HG13 ILE A 12 -0.490 11.105 -3.620 1.00 42.03 H new ATOM 0 HG21 ILE A 12 -1.049 7.636 -2.268 1.00 13.11 H new ATOM 0 HG22 ILE A 12 0.090 6.842 -3.381 1.00 13.11 H new ATOM 0 HG23 ILE A 12 0.702 7.893 -2.081 1.00 13.11 H new ATOM 0 HD11 ILE A 12 -2.147 11.161 -1.812 1.00 35.13 H new ATOM 0 HD12 ILE A 12 -2.706 10.108 -3.134 1.00 35.13 H new ATOM 0 HD13 ILE A 12 -2.046 9.392 -1.644 1.00 35.13 H new ATOM 201 N GLN A 13 2.686 7.416 -5.430 1.00 2.44 N ATOM 202 CA GLN A 13 3.080 6.236 -6.218 1.00 53.33 C ATOM 203 C GLN A 13 3.138 4.986 -5.316 1.00 61.45 C ATOM 204 O GLN A 13 3.916 4.932 -4.358 1.00 74.31 O ATOM 205 CB GLN A 13 4.455 6.468 -6.900 1.00 4.24 C ATOM 206 CG GLN A 13 4.912 5.307 -7.826 1.00 22.32 C ATOM 207 CD GLN A 13 6.340 5.457 -8.357 1.00 10.10 C ATOM 208 OE1 GLN A 13 7.199 6.049 -7.703 1.00 54.52 O ATOM 209 NE2 GLN A 13 6.618 4.905 -9.530 1.00 4.33 N ATOM 0 H GLN A 13 3.449 7.824 -4.890 1.00 2.44 H new ATOM 0 HA GLN A 13 2.332 6.076 -6.994 1.00 53.33 H new ATOM 0 HB2 GLN A 13 4.407 7.387 -7.485 1.00 4.24 H new ATOM 0 HB3 GLN A 13 5.209 6.620 -6.128 1.00 4.24 H new ATOM 0 HG2 GLN A 13 4.836 4.368 -7.278 1.00 22.32 H new ATOM 0 HG3 GLN A 13 4.227 5.239 -8.671 1.00 22.32 H new ATOM 0 HE21 GLN A 13 5.888 4.420 -10.051 1.00 4.33 H new ATOM 0 HE22 GLN A 13 7.562 4.965 -9.911 1.00 4.33 H new ATOM 218 N VAL A 14 2.300 3.998 -5.648 1.00 52.22 N ATOM 219 CA VAL A 14 2.256 2.688 -4.981 1.00 74.33 C ATOM 220 C VAL A 14 3.167 1.705 -5.746 1.00 52.35 C ATOM 221 O VAL A 14 3.043 1.590 -6.959 1.00 2.22 O ATOM 222 CB VAL A 14 0.779 2.137 -4.961 1.00 32.52 C ATOM 223 CG1 VAL A 14 0.711 0.757 -4.275 1.00 62.00 C ATOM 224 CG2 VAL A 14 -0.177 3.153 -4.288 1.00 20.13 C ATOM 0 H VAL A 14 1.619 4.086 -6.402 1.00 52.22 H new ATOM 0 HA VAL A 14 2.603 2.793 -3.953 1.00 74.33 H new ATOM 0 HB VAL A 14 0.451 2.005 -5.992 1.00 32.52 H new ATOM 0 HG11 VAL A 14 -0.319 0.401 -4.275 1.00 62.00 H new ATOM 0 HG12 VAL A 14 1.339 0.050 -4.817 1.00 62.00 H new ATOM 0 HG13 VAL A 14 1.065 0.844 -3.248 1.00 62.00 H new ATOM 0 HG21 VAL A 14 -1.191 2.752 -4.285 1.00 20.13 H new ATOM 0 HG22 VAL A 14 0.145 3.332 -3.262 1.00 20.13 H new ATOM 0 HG23 VAL A 14 -0.159 4.091 -4.842 1.00 20.13 H new ATOM 234 N GLN A 15 4.101 1.034 -5.044 1.00 2.23 N ATOM 235 CA GLN A 15 5.030 0.047 -5.651 1.00 64.40 C ATOM 236 C GLN A 15 5.080 -1.225 -4.783 1.00 50.20 C ATOM 237 O GLN A 15 5.617 -1.188 -3.675 1.00 43.55 O ATOM 238 CB GLN A 15 6.464 0.656 -5.781 1.00 23.51 C ATOM 239 CG GLN A 15 6.544 1.937 -6.625 1.00 25.12 C ATOM 240 CD GLN A 15 7.953 2.520 -6.735 1.00 61.14 C ATOM 241 OE1 GLN A 15 8.710 2.193 -7.651 1.00 62.35 O ATOM 242 NE2 GLN A 15 8.318 3.382 -5.798 1.00 15.14 N ATOM 0 H GLN A 15 4.237 1.157 -4.041 1.00 2.23 H new ATOM 0 HA GLN A 15 4.667 -0.209 -6.646 1.00 64.40 H new ATOM 0 HB2 GLN A 15 6.844 0.871 -4.782 1.00 23.51 H new ATOM 0 HB3 GLN A 15 7.124 -0.093 -6.219 1.00 23.51 H new ATOM 0 HG2 GLN A 15 6.170 1.724 -7.627 1.00 25.12 H new ATOM 0 HG3 GLN A 15 5.884 2.688 -6.191 1.00 25.12 H new ATOM 0 HE21 GLN A 15 7.667 3.632 -5.053 1.00 15.14 H new ATOM 0 HE22 GLN A 15 9.250 3.796 -5.821 1.00 15.14 H new ATOM 251 N ASN A 16 4.517 -2.344 -5.274 1.00 51.42 N ATOM 252 CA ASN A 16 4.586 -3.645 -4.567 1.00 73.51 C ATOM 253 C ASN A 16 5.614 -4.568 -5.258 1.00 34.51 C ATOM 254 O ASN A 16 5.507 -4.845 -6.456 1.00 72.24 O ATOM 255 CB ASN A 16 3.182 -4.316 -4.508 1.00 72.22 C ATOM 256 CG ASN A 16 3.192 -5.700 -3.835 1.00 31.20 C ATOM 257 OD1 ASN A 16 3.320 -6.737 -4.491 1.00 62.21 O ATOM 258 ND2 ASN A 16 3.083 -5.717 -2.527 1.00 42.14 N ATOM 0 H ASN A 16 4.008 -2.378 -6.157 1.00 51.42 H new ATOM 0 HA ASN A 16 4.913 -3.471 -3.542 1.00 73.51 H new ATOM 0 HB2 ASN A 16 2.498 -3.662 -3.967 1.00 72.22 H new ATOM 0 HB3 ASN A 16 2.793 -4.416 -5.521 1.00 72.22 H new ATOM 0 HD21 ASN A 16 3.103 -6.605 -2.025 1.00 42.14 H new ATOM 0 HD22 ASN A 16 2.978 -4.842 -2.013 1.00 42.14 H new ATOM 265 N ASN A 17 6.615 -5.017 -4.486 1.00 23.53 N ATOM 266 CA ASN A 17 7.626 -5.987 -4.936 1.00 4.15 C ATOM 267 C ASN A 17 7.288 -7.358 -4.339 1.00 11.12 C ATOM 268 O ASN A 17 7.177 -7.498 -3.111 1.00 63.33 O ATOM 269 CB ASN A 17 9.049 -5.543 -4.497 1.00 50.01 C ATOM 270 CG ASN A 17 10.150 -6.536 -4.915 1.00 63.51 C ATOM 271 OD1 ASN A 17 10.685 -6.456 -6.018 1.00 62.54 O ATOM 272 ND2 ASN A 17 10.491 -7.482 -4.041 1.00 61.12 N ATOM 0 H ASN A 17 6.747 -4.714 -3.521 1.00 23.53 H new ATOM 0 HA ASN A 17 7.617 -6.043 -6.025 1.00 4.15 H new ATOM 0 HB2 ASN A 17 9.267 -4.566 -4.928 1.00 50.01 H new ATOM 0 HB3 ASN A 17 9.068 -5.425 -3.414 1.00 50.01 H new ATOM 0 HD21 ASN A 17 11.212 -8.162 -4.281 1.00 61.12 H new ATOM 0 HD22 ASN A 17 10.031 -7.526 -3.132 1.00 61.12 H new ATOM 279 N ASN A 18 7.130 -8.357 -5.210 1.00 4.11 N ATOM 280 CA ASN A 18 6.840 -9.743 -4.813 1.00 74.01 C ATOM 281 C ASN A 18 8.054 -10.634 -5.174 1.00 63.23 C ATOM 282 O ASN A 18 8.514 -10.633 -6.323 1.00 35.20 O ATOM 283 CB ASN A 18 5.507 -10.215 -5.482 1.00 1.11 C ATOM 284 CG ASN A 18 5.532 -10.216 -7.015 1.00 72.25 C ATOM 285 OD1 ASN A 18 5.777 -11.241 -7.650 1.00 12.42 O ATOM 286 ND2 ASN A 18 5.310 -9.057 -7.620 1.00 3.10 N ATOM 0 H ASN A 18 7.200 -8.229 -6.220 1.00 4.11 H new ATOM 0 HA ASN A 18 6.691 -9.819 -3.736 1.00 74.01 H new ATOM 0 HB2 ASN A 18 5.277 -11.222 -5.134 1.00 1.11 H new ATOM 0 HB3 ASN A 18 4.697 -9.569 -5.145 1.00 1.11 H new ATOM 0 HD21 ASN A 18 5.340 -8.999 -8.638 1.00 3.10 H new ATOM 0 HD22 ASN A 18 5.109 -8.223 -7.067 1.00 3.10 H new ATOM 293 N THR A 19 8.610 -11.341 -4.163 1.00 0.40 N ATOM 294 CA THR A 19 9.813 -12.179 -4.318 1.00 13.13 C ATOM 295 C THR A 19 9.400 -13.648 -4.582 1.00 25.42 C ATOM 296 O THR A 19 8.872 -14.334 -3.683 1.00 24.35 O ATOM 297 CB THR A 19 10.719 -12.072 -3.038 1.00 25.25 C ATOM 298 OG1 THR A 19 10.997 -10.688 -2.770 1.00 43.24 O ATOM 299 CG2 THR A 19 12.051 -12.833 -3.187 1.00 40.44 C ATOM 0 H THR A 19 8.233 -11.344 -3.215 1.00 0.40 H new ATOM 0 HA THR A 19 10.390 -11.823 -5.172 1.00 13.13 H new ATOM 0 HB THR A 19 10.171 -12.529 -2.214 1.00 25.25 H new ATOM 0 HG1 THR A 19 11.561 -10.616 -1.972 1.00 43.24 H new ATOM 0 HG21 THR A 19 12.636 -12.725 -2.274 1.00 40.44 H new ATOM 0 HG22 THR A 19 11.849 -13.889 -3.365 1.00 40.44 H new ATOM 0 HG23 THR A 19 12.612 -12.424 -4.028 1.00 40.44 H new ATOM 307 N CYS A 20 9.659 -14.094 -5.831 1.00 41.25 N ATOM 308 CA CYS A 20 9.274 -15.417 -6.366 1.00 11.14 C ATOM 309 C CYS A 20 9.691 -15.510 -7.844 1.00 55.23 C ATOM 310 O CYS A 20 10.034 -14.490 -8.453 1.00 44.30 O ATOM 311 CB CYS A 20 7.752 -15.655 -6.229 1.00 4.43 C ATOM 312 SG CYS A 20 6.731 -14.271 -6.857 1.00 71.33 S ATOM 0 H CYS A 20 10.157 -13.525 -6.515 1.00 41.25 H new ATOM 0 HA CYS A 20 9.786 -16.187 -5.789 1.00 11.14 H new ATOM 0 HB2 CYS A 20 7.486 -16.565 -6.767 1.00 4.43 H new ATOM 0 HB3 CYS A 20 7.513 -15.824 -5.179 1.00 4.43 H new ATOM 317 N ASN A 21 9.666 -16.728 -8.418 1.00 14.33 N ATOM 318 CA ASN A 21 9.996 -16.943 -9.842 1.00 71.24 C ATOM 319 C ASN A 21 8.855 -16.405 -10.734 1.00 41.14 C ATOM 320 O ASN A 21 7.863 -17.099 -10.994 1.00 53.11 O ATOM 321 CB ASN A 21 10.285 -18.443 -10.138 1.00 32.50 C ATOM 322 CG ASN A 21 11.545 -18.974 -9.440 1.00 51.00 C ATOM 323 OD1 ASN A 21 11.886 -18.566 -8.328 1.00 51.40 O ATOM 324 ND2 ASN A 21 12.258 -19.881 -10.092 1.00 23.25 N ATOM 0 H ASN A 21 9.420 -17.581 -7.916 1.00 14.33 H new ATOM 0 HA ASN A 21 10.907 -16.391 -10.072 1.00 71.24 H new ATOM 0 HB2 ASN A 21 9.428 -19.039 -9.825 1.00 32.50 H new ATOM 0 HB3 ASN A 21 10.391 -18.579 -11.214 1.00 32.50 H new ATOM 0 HD21 ASN A 21 13.109 -20.257 -9.675 1.00 23.25 H new ATOM 0 HD22 ASN A 21 11.955 -20.203 -11.011 1.00 23.25 H new ATOM 331 N GLY A 22 9.006 -15.137 -11.147 1.00 3.43 N ATOM 332 CA GLY A 22 8.032 -14.443 -11.985 1.00 4.32 C ATOM 333 C GLY A 22 8.605 -13.147 -12.546 1.00 2.33 C ATOM 334 O GLY A 22 9.743 -12.780 -12.229 1.00 21.25 O ATOM 0 H GLY A 22 9.815 -14.566 -10.904 1.00 3.43 H new ATOM 0 HA2 GLY A 22 7.727 -15.093 -12.805 1.00 4.32 H new ATOM 0 HA3 GLY A 22 7.138 -14.225 -11.401 1.00 4.32 H new ATOM 338 N LYS A 23 7.801 -12.439 -13.350 1.00 65.40 N ATOM 339 CA LYS A 23 8.237 -11.225 -14.078 1.00 3.35 C ATOM 340 C LYS A 23 7.185 -10.091 -13.917 1.00 25.43 C ATOM 341 O LYS A 23 7.315 -9.016 -14.511 1.00 52.22 O ATOM 342 CB LYS A 23 8.449 -11.599 -15.582 1.00 60.41 C ATOM 343 CG LYS A 23 9.150 -10.521 -16.452 1.00 51.03 C ATOM 344 CD LYS A 23 9.142 -10.864 -17.969 1.00 60.33 C ATOM 345 CE LYS A 23 7.715 -10.969 -18.545 1.00 71.00 C ATOM 346 NZ LYS A 23 7.711 -11.248 -20.013 1.00 11.13 N ATOM 0 H LYS A 23 6.826 -12.687 -13.519 1.00 65.40 H new ATOM 0 HA LYS A 23 9.176 -10.855 -13.666 1.00 3.35 H new ATOM 0 HB2 LYS A 23 9.036 -12.516 -15.630 1.00 60.41 H new ATOM 0 HB3 LYS A 23 7.477 -11.819 -16.023 1.00 60.41 H new ATOM 0 HG2 LYS A 23 8.656 -9.561 -16.300 1.00 51.03 H new ATOM 0 HG3 LYS A 23 10.181 -10.406 -16.117 1.00 51.03 H new ATOM 0 HD2 LYS A 23 9.695 -10.099 -18.514 1.00 60.33 H new ATOM 0 HD3 LYS A 23 9.664 -11.808 -18.127 1.00 60.33 H new ATOM 0 HE2 LYS A 23 7.174 -11.761 -18.026 1.00 71.00 H new ATOM 0 HE3 LYS A 23 7.180 -10.039 -18.353 1.00 71.00 H new ATOM 0 HZ1 LYS A 23 6.730 -11.309 -20.352 1.00 11.13 H new ATOM 0 HZ2 LYS A 23 8.203 -10.481 -20.514 1.00 11.13 H new ATOM 0 HZ3 LYS A 23 8.198 -12.149 -20.197 1.00 11.13 H new ATOM 360 N THR A 24 6.144 -10.322 -13.085 1.00 44.11 N ATOM 361 CA THR A 24 5.038 -9.363 -12.902 1.00 52.41 C ATOM 362 C THR A 24 5.433 -8.280 -11.867 1.00 42.22 C ATOM 363 O THR A 24 5.414 -8.521 -10.655 1.00 33.03 O ATOM 364 CB THR A 24 3.725 -10.097 -12.465 1.00 23.42 C ATOM 365 OG1 THR A 24 3.493 -11.228 -13.330 1.00 30.43 O ATOM 366 CG2 THR A 24 2.483 -9.172 -12.517 1.00 43.10 C ATOM 0 H THR A 24 6.050 -11.171 -12.528 1.00 44.11 H new ATOM 0 HA THR A 24 4.845 -8.876 -13.858 1.00 52.41 H new ATOM 0 HB THR A 24 3.866 -10.416 -11.432 1.00 23.42 H new ATOM 0 HG1 THR A 24 2.672 -11.687 -13.055 1.00 30.43 H new ATOM 0 HG21 THR A 24 1.600 -9.730 -12.205 1.00 43.10 H new ATOM 0 HG22 THR A 24 2.632 -8.325 -11.848 1.00 43.10 H new ATOM 0 HG23 THR A 24 2.342 -8.810 -13.535 1.00 43.10 H new ATOM 374 N PHE A 25 5.859 -7.116 -12.379 1.00 72.12 N ATOM 375 CA PHE A 25 6.190 -5.907 -11.572 1.00 0.31 C ATOM 376 C PHE A 25 5.230 -4.754 -11.936 1.00 73.24 C ATOM 377 O PHE A 25 5.501 -3.573 -11.662 1.00 13.41 O ATOM 378 CB PHE A 25 7.681 -5.516 -11.800 1.00 62.24 C ATOM 379 CG PHE A 25 8.664 -6.604 -11.350 1.00 41.31 C ATOM 380 CD1 PHE A 25 8.982 -6.761 -9.997 1.00 4.45 C ATOM 381 CD2 PHE A 25 9.258 -7.476 -12.271 1.00 74.13 C ATOM 382 CE1 PHE A 25 9.854 -7.756 -9.582 1.00 34.15 C ATOM 383 CE2 PHE A 25 10.128 -8.468 -11.849 1.00 43.00 C ATOM 384 CZ PHE A 25 10.429 -8.602 -10.509 1.00 14.44 C ATOM 0 H PHE A 25 5.989 -6.974 -13.381 1.00 72.12 H new ATOM 0 HA PHE A 25 6.060 -6.122 -10.511 1.00 0.31 H new ATOM 0 HB2 PHE A 25 7.838 -5.308 -12.858 1.00 62.24 H new ATOM 0 HB3 PHE A 25 7.896 -4.594 -11.259 1.00 62.24 H new ATOM 0 HD1 PHE A 25 8.543 -6.099 -9.266 1.00 4.45 H new ATOM 0 HD2 PHE A 25 9.035 -7.374 -13.323 1.00 74.13 H new ATOM 0 HE1 PHE A 25 10.084 -7.869 -8.533 1.00 34.15 H new ATOM 0 HE2 PHE A 25 10.572 -9.138 -12.570 1.00 43.00 H new ATOM 0 HZ PHE A 25 11.116 -9.370 -10.185 1.00 14.44 H new ATOM 394 N ASP A 26 4.055 -5.151 -12.470 1.00 75.34 N ATOM 395 CA ASP A 26 2.960 -4.241 -12.873 1.00 70.03 C ATOM 396 C ASP A 26 2.163 -3.716 -11.651 1.00 50.34 C ATOM 397 O ASP A 26 1.150 -3.029 -11.802 1.00 74.44 O ATOM 398 CB ASP A 26 2.005 -4.977 -13.850 1.00 32.34 C ATOM 399 CG ASP A 26 2.706 -5.477 -15.123 1.00 34.43 C ATOM 400 OD1 ASP A 26 3.435 -6.493 -15.045 1.00 52.25 O ATOM 401 OD2 ASP A 26 2.534 -4.864 -16.201 1.00 30.23 O ATOM 0 H ASP A 26 3.836 -6.133 -12.637 1.00 75.34 H new ATOM 0 HA ASP A 26 3.407 -3.379 -13.368 1.00 70.03 H new ATOM 0 HB2 ASP A 26 1.553 -5.825 -13.336 1.00 32.34 H new ATOM 0 HB3 ASP A 26 1.194 -4.305 -14.130 1.00 32.34 H new ATOM 406 N TYR A 27 2.654 -4.044 -10.453 1.00 41.33 N ATOM 407 CA TYR A 27 2.101 -3.604 -9.167 1.00 61.44 C ATOM 408 C TYR A 27 2.416 -2.108 -8.872 1.00 35.53 C ATOM 409 O TYR A 27 2.064 -1.602 -7.798 1.00 52.32 O ATOM 410 CB TYR A 27 2.695 -4.500 -8.049 1.00 25.32 C ATOM 411 CG TYR A 27 2.366 -6.008 -8.134 1.00 14.11 C ATOM 412 CD1 TYR A 27 2.982 -6.838 -9.072 1.00 42.33 C ATOM 413 CD2 TYR A 27 1.442 -6.605 -7.270 1.00 71.12 C ATOM 414 CE1 TYR A 27 2.689 -8.187 -9.136 1.00 12.41 C ATOM 415 CE2 TYR A 27 1.153 -7.957 -7.340 1.00 42.33 C ATOM 416 CZ TYR A 27 1.774 -8.737 -8.276 1.00 34.05 C ATOM 417 OH TYR A 27 1.488 -10.081 -8.354 1.00 71.43 O ATOM 0 H TYR A 27 3.473 -4.642 -10.347 1.00 41.33 H new ATOM 0 HA TYR A 27 1.016 -3.698 -9.205 1.00 61.44 H new ATOM 0 HB2 TYR A 27 3.779 -4.385 -8.058 1.00 25.32 H new ATOM 0 HB3 TYR A 27 2.343 -4.126 -7.088 1.00 25.32 H new ATOM 0 HD1 TYR A 27 3.701 -6.418 -9.760 1.00 42.33 H new ATOM 0 HD2 TYR A 27 0.942 -5.997 -6.531 1.00 71.12 H new ATOM 0 HE1 TYR A 27 3.183 -8.811 -9.867 1.00 12.41 H new ATOM 0 HE2 TYR A 27 0.439 -8.394 -6.658 1.00 42.33 H new ATOM 0 HH TYR A 27 0.821 -10.313 -7.675 1.00 71.43 H new ATOM 427 N THR A 28 3.096 -1.423 -9.812 1.00 40.44 N ATOM 428 CA THR A 28 3.453 0.000 -9.688 1.00 24.13 C ATOM 429 C THR A 28 2.394 0.899 -10.375 1.00 21.21 C ATOM 430 O THR A 28 2.149 0.772 -11.573 1.00 53.15 O ATOM 431 CB THR A 28 4.865 0.244 -10.316 1.00 31.44 C ATOM 432 OG1 THR A 28 5.829 -0.626 -9.683 1.00 62.02 O ATOM 433 CG2 THR A 28 5.325 1.709 -10.175 1.00 65.05 C ATOM 0 H THR A 28 3.414 -1.846 -10.684 1.00 40.44 H new ATOM 0 HA THR A 28 3.480 0.262 -8.630 1.00 24.13 H new ATOM 0 HB THR A 28 4.793 0.024 -11.381 1.00 31.44 H new ATOM 0 HG1 THR A 28 6.714 -0.475 -10.077 1.00 62.02 H new ATOM 0 HG21 THR A 28 6.310 1.826 -10.626 1.00 65.05 H new ATOM 0 HG22 THR A 28 4.614 2.364 -10.680 1.00 65.05 H new ATOM 0 HG23 THR A 28 5.376 1.974 -9.119 1.00 65.05 H new ATOM 441 N TYR A 29 1.755 1.792 -9.586 1.00 13.45 N ATOM 442 CA TYR A 29 0.730 2.749 -10.066 1.00 11.04 C ATOM 443 C TYR A 29 1.055 4.156 -9.530 1.00 75.54 C ATOM 444 O TYR A 29 1.774 4.287 -8.537 1.00 2.32 O ATOM 445 CB TYR A 29 -0.685 2.324 -9.587 1.00 23.40 C ATOM 446 CG TYR A 29 -1.074 0.883 -9.946 1.00 61.32 C ATOM 447 CD1 TYR A 29 -1.698 0.568 -11.161 1.00 42.44 C ATOM 448 CD2 TYR A 29 -0.818 -0.165 -9.062 1.00 43.42 C ATOM 449 CE1 TYR A 29 -2.045 -0.739 -11.467 1.00 31.34 C ATOM 450 CE2 TYR A 29 -1.161 -1.461 -9.369 1.00 11.32 C ATOM 451 CZ TYR A 29 -1.773 -1.747 -10.564 1.00 13.53 C ATOM 452 OH TYR A 29 -2.112 -3.049 -10.860 1.00 65.14 O ATOM 0 H TYR A 29 1.938 1.870 -8.586 1.00 13.45 H new ATOM 0 HA TYR A 29 0.739 2.756 -11.156 1.00 11.04 H new ATOM 0 HB2 TYR A 29 -0.739 2.442 -8.505 1.00 23.40 H new ATOM 0 HB3 TYR A 29 -1.420 3.003 -10.019 1.00 23.40 H new ATOM 0 HD1 TYR A 29 -1.912 1.355 -11.869 1.00 42.44 H new ATOM 0 HD2 TYR A 29 -0.340 0.046 -8.117 1.00 43.42 H new ATOM 0 HE1 TYR A 29 -2.526 -0.967 -12.407 1.00 31.34 H new ATOM 0 HE2 TYR A 29 -0.948 -2.255 -8.669 1.00 11.32 H new ATOM 0 HH TYR A 29 -1.305 -3.605 -10.863 1.00 65.14 H new ATOM 462 N THR A 30 0.524 5.201 -10.190 1.00 3.34 N ATOM 463 CA THR A 30 0.668 6.604 -9.743 1.00 62.11 C ATOM 464 C THR A 30 -0.713 7.292 -9.730 1.00 74.10 C ATOM 465 O THR A 30 -1.328 7.487 -10.784 1.00 14.51 O ATOM 466 CB THR A 30 1.671 7.386 -10.660 1.00 23.33 C ATOM 467 OG1 THR A 30 2.937 6.697 -10.683 1.00 2.40 O ATOM 468 CG2 THR A 30 1.899 8.839 -10.185 1.00 22.51 C ATOM 0 H THR A 30 -0.017 5.100 -11.048 1.00 3.34 H new ATOM 0 HA THR A 30 1.074 6.608 -8.731 1.00 62.11 H new ATOM 0 HB THR A 30 1.232 7.428 -11.657 1.00 23.33 H new ATOM 0 HG1 THR A 30 3.564 7.184 -11.257 1.00 2.40 H new ATOM 0 HG21 THR A 30 2.601 9.335 -10.855 1.00 22.51 H new ATOM 0 HG22 THR A 30 0.951 9.377 -10.191 1.00 22.51 H new ATOM 0 HG23 THR A 30 2.306 8.832 -9.174 1.00 22.51 H new ATOM 476 N VAL A 31 -1.215 7.613 -8.523 1.00 51.13 N ATOM 477 CA VAL A 31 -2.500 8.323 -8.327 1.00 14.22 C ATOM 478 C VAL A 31 -2.256 9.674 -7.617 1.00 70.24 C ATOM 479 O VAL A 31 -1.372 9.781 -6.768 1.00 64.44 O ATOM 480 CB VAL A 31 -3.524 7.437 -7.505 1.00 61.12 C ATOM 481 CG1 VAL A 31 -3.908 6.145 -8.279 1.00 73.14 C ATOM 482 CG2 VAL A 31 -2.986 7.092 -6.094 1.00 31.03 C ATOM 0 H VAL A 31 -0.740 7.387 -7.649 1.00 51.13 H new ATOM 0 HA VAL A 31 -2.939 8.514 -9.306 1.00 14.22 H new ATOM 0 HB VAL A 31 -4.426 8.035 -7.377 1.00 61.12 H new ATOM 0 HG11 VAL A 31 -4.612 5.561 -7.686 1.00 73.14 H new ATOM 0 HG12 VAL A 31 -4.370 6.414 -9.229 1.00 73.14 H new ATOM 0 HG13 VAL A 31 -3.012 5.553 -8.466 1.00 73.14 H new ATOM 0 HG21 VAL A 31 -3.719 6.484 -5.564 1.00 31.03 H new ATOM 0 HG22 VAL A 31 -2.052 6.537 -6.186 1.00 31.03 H new ATOM 0 HG23 VAL A 31 -2.808 8.012 -5.538 1.00 31.03 H new ATOM 492 N THR A 32 -3.020 10.715 -7.984 1.00 32.01 N ATOM 493 CA THR A 32 -2.927 12.040 -7.334 1.00 12.31 C ATOM 494 C THR A 32 -4.027 12.214 -6.267 1.00 1.33 C ATOM 495 O THR A 32 -4.061 13.222 -5.561 1.00 34.23 O ATOM 496 CB THR A 32 -3.004 13.199 -8.385 1.00 2.11 C ATOM 497 OG1 THR A 32 -2.547 14.423 -7.787 1.00 32.31 O ATOM 498 CG2 THR A 32 -4.422 13.401 -8.957 1.00 32.22 C ATOM 0 H THR A 32 -3.713 10.668 -8.731 1.00 32.01 H new ATOM 0 HA THR A 32 -1.956 12.091 -6.841 1.00 12.31 H new ATOM 0 HB THR A 32 -2.361 12.916 -9.219 1.00 2.11 H new ATOM 0 HG1 THR A 32 -1.602 14.562 -8.007 1.00 32.31 H new ATOM 0 HG21 THR A 32 -4.410 14.217 -9.679 1.00 32.22 H new ATOM 0 HG22 THR A 32 -4.749 12.486 -9.450 1.00 32.22 H new ATOM 0 HG23 THR A 32 -5.110 13.643 -8.147 1.00 32.22 H new ATOM 506 N THR A 33 -4.926 11.224 -6.162 1.00 62.25 N ATOM 507 CA THR A 33 -6.078 11.275 -5.251 1.00 11.03 C ATOM 508 C THR A 33 -6.057 10.064 -4.294 1.00 43.15 C ATOM 509 O THR A 33 -5.785 8.928 -4.716 1.00 52.21 O ATOM 510 CB THR A 33 -7.417 11.307 -6.070 1.00 71.40 C ATOM 511 OG1 THR A 33 -7.325 12.321 -7.087 1.00 13.11 O ATOM 512 CG2 THR A 33 -8.644 11.591 -5.182 1.00 44.10 C ATOM 0 H THR A 33 -4.874 10.364 -6.708 1.00 62.25 H new ATOM 0 HA THR A 33 -6.015 12.186 -4.656 1.00 11.03 H new ATOM 0 HB THR A 33 -7.554 10.321 -6.514 1.00 71.40 H new ATOM 0 HG1 THR A 33 -8.158 12.344 -7.602 1.00 13.11 H new ATOM 0 HG21 THR A 33 -9.544 11.602 -5.797 1.00 44.10 H new ATOM 0 HG22 THR A 33 -8.733 10.813 -4.424 1.00 44.10 H new ATOM 0 HG23 THR A 33 -8.525 12.559 -4.696 1.00 44.10 H new ATOM 520 N GLU A 34 -6.369 10.338 -3.009 1.00 1.32 N ATOM 521 CA GLU A 34 -6.415 9.330 -1.929 1.00 54.03 C ATOM 522 C GLU A 34 -7.535 8.305 -2.173 1.00 32.33 C ATOM 523 O GLU A 34 -7.409 7.140 -1.787 1.00 52.32 O ATOM 524 CB GLU A 34 -6.620 10.031 -0.565 1.00 2.21 C ATOM 525 CG GLU A 34 -5.557 11.092 -0.236 1.00 44.53 C ATOM 526 CD GLU A 34 -5.882 11.881 1.039 1.00 43.32 C ATOM 527 OE1 GLU A 34 -5.947 11.259 2.125 1.00 71.54 O ATOM 528 OE2 GLU A 34 -6.088 13.120 0.957 1.00 22.03 O ATOM 0 H GLU A 34 -6.599 11.279 -2.689 1.00 1.32 H new ATOM 0 HA GLU A 34 -5.466 8.794 -1.920 1.00 54.03 H new ATOM 0 HB2 GLU A 34 -7.603 10.502 -0.555 1.00 2.21 H new ATOM 0 HB3 GLU A 34 -6.620 9.277 0.222 1.00 2.21 H new ATOM 0 HG2 GLU A 34 -4.588 10.606 -0.120 1.00 44.53 H new ATOM 0 HG3 GLU A 34 -5.469 11.784 -1.074 1.00 44.53 H new ATOM 535 N SER A 35 -8.618 8.765 -2.831 1.00 64.21 N ATOM 536 CA SER A 35 -9.732 7.909 -3.257 1.00 71.31 C ATOM 537 C SER A 35 -9.225 6.798 -4.189 1.00 71.53 C ATOM 538 O SER A 35 -9.380 5.615 -3.893 1.00 42.43 O ATOM 539 CB SER A 35 -10.812 8.761 -3.966 1.00 73.20 C ATOM 540 OG SER A 35 -11.233 9.829 -3.139 1.00 54.52 O ATOM 0 H SER A 35 -8.740 9.746 -3.081 1.00 64.21 H new ATOM 0 HA SER A 35 -10.176 7.443 -2.377 1.00 71.31 H new ATOM 0 HB2 SER A 35 -10.415 9.155 -4.902 1.00 73.20 H new ATOM 0 HB3 SER A 35 -11.666 8.134 -4.221 1.00 73.20 H new ATOM 0 HG SER A 35 -11.914 10.356 -3.607 1.00 54.52 H new ATOM 546 N GLU A 36 -8.532 7.219 -5.264 1.00 52.31 N ATOM 547 CA GLU A 36 -8.045 6.320 -6.322 1.00 63.42 C ATOM 548 C GLU A 36 -6.949 5.360 -5.817 1.00 13.14 C ATOM 549 O GLU A 36 -6.734 4.302 -6.411 1.00 14.21 O ATOM 550 CB GLU A 36 -7.560 7.149 -7.538 1.00 33.33 C ATOM 551 CG GLU A 36 -8.627 8.111 -8.106 1.00 35.33 C ATOM 552 CD GLU A 36 -9.958 7.416 -8.457 1.00 11.21 C ATOM 553 OE1 GLU A 36 -10.029 6.744 -9.513 1.00 24.12 O ATOM 554 OE2 GLU A 36 -10.940 7.539 -7.679 1.00 5.31 O ATOM 0 H GLU A 36 -8.294 8.198 -5.422 1.00 52.31 H new ATOM 0 HA GLU A 36 -8.878 5.691 -6.637 1.00 63.42 H new ATOM 0 HB2 GLU A 36 -6.683 7.727 -7.245 1.00 33.33 H new ATOM 0 HB3 GLU A 36 -7.243 6.467 -8.327 1.00 33.33 H new ATOM 0 HG2 GLU A 36 -8.819 8.899 -7.378 1.00 35.33 H new ATOM 0 HG3 GLU A 36 -8.231 8.593 -9.000 1.00 35.33 H new ATOM 561 N LEU A 37 -6.285 5.739 -4.714 1.00 64.24 N ATOM 562 CA LEU A 37 -5.348 4.864 -3.982 1.00 0.44 C ATOM 563 C LEU A 37 -6.131 3.652 -3.416 1.00 0.42 C ATOM 564 O LEU A 37 -5.754 2.497 -3.636 1.00 13.53 O ATOM 565 CB LEU A 37 -4.672 5.687 -2.840 1.00 23.32 C ATOM 566 CG LEU A 37 -3.266 5.223 -2.316 1.00 73.01 C ATOM 567 CD1 LEU A 37 -2.806 6.117 -1.157 1.00 14.43 C ATOM 568 CD2 LEU A 37 -3.215 3.744 -1.887 1.00 13.03 C ATOM 0 H LEU A 37 -6.382 6.666 -4.300 1.00 64.24 H new ATOM 0 HA LEU A 37 -4.567 4.491 -4.645 1.00 0.44 H new ATOM 0 HB2 LEU A 37 -4.574 6.716 -3.186 1.00 23.32 H new ATOM 0 HB3 LEU A 37 -5.355 5.699 -1.991 1.00 23.32 H new ATOM 0 HG LEU A 37 -2.586 5.322 -3.162 1.00 73.01 H new ATOM 0 HD11 LEU A 37 -1.830 5.783 -0.805 1.00 14.43 H new ATOM 0 HD12 LEU A 37 -2.734 7.149 -1.500 1.00 14.43 H new ATOM 0 HD13 LEU A 37 -3.527 6.055 -0.342 1.00 14.43 H new ATOM 0 HD21 LEU A 37 -2.212 3.501 -1.538 1.00 13.03 H new ATOM 0 HD22 LEU A 37 -3.930 3.574 -1.083 1.00 13.03 H new ATOM 0 HD23 LEU A 37 -3.467 3.110 -2.737 1.00 13.03 H new ATOM 580 N GLN A 38 -7.239 3.958 -2.716 1.00 74.24 N ATOM 581 CA GLN A 38 -8.099 2.954 -2.054 1.00 2.22 C ATOM 582 C GLN A 38 -8.756 1.998 -3.072 1.00 22.50 C ATOM 583 O GLN A 38 -8.955 0.811 -2.774 1.00 31.15 O ATOM 584 CB GLN A 38 -9.181 3.668 -1.202 1.00 5.14 C ATOM 585 CG GLN A 38 -8.610 4.625 -0.133 1.00 52.22 C ATOM 586 CD GLN A 38 -9.683 5.459 0.579 1.00 11.01 C ATOM 587 OE1 GLN A 38 -10.731 5.773 0.006 1.00 24.04 O ATOM 588 NE2 GLN A 38 -9.420 5.859 1.810 1.00 33.31 N ATOM 0 H GLN A 38 -7.567 4.916 -2.592 1.00 74.24 H new ATOM 0 HA GLN A 38 -7.468 2.348 -1.404 1.00 2.22 H new ATOM 0 HB2 GLN A 38 -9.837 4.231 -1.865 1.00 5.14 H new ATOM 0 HB3 GLN A 38 -9.796 2.915 -0.709 1.00 5.14 H new ATOM 0 HG2 GLN A 38 -8.062 4.043 0.608 1.00 52.22 H new ATOM 0 HG3 GLN A 38 -7.893 5.297 -0.604 1.00 52.22 H new ATOM 0 HE21 GLN A 38 -8.546 5.585 2.260 1.00 33.31 H new ATOM 0 HE22 GLN A 38 -10.090 6.442 2.311 1.00 33.31 H new ATOM 597 N LYS A 39 -9.085 2.532 -4.276 1.00 42.11 N ATOM 598 CA LYS A 39 -9.560 1.709 -5.409 1.00 33.43 C ATOM 599 C LYS A 39 -8.454 0.730 -5.839 1.00 12.34 C ATOM 600 O LYS A 39 -8.626 -0.489 -5.754 1.00 72.11 O ATOM 601 CB LYS A 39 -9.983 2.572 -6.652 1.00 44.45 C ATOM 602 CG LYS A 39 -11.398 3.199 -6.617 1.00 32.24 C ATOM 603 CD LYS A 39 -11.544 4.364 -5.625 1.00 10.23 C ATOM 604 CE LYS A 39 -12.907 5.066 -5.724 1.00 4.53 C ATOM 605 NZ LYS A 39 -13.143 5.635 -7.077 1.00 1.15 N ATOM 0 H LYS A 39 -9.029 3.529 -4.483 1.00 42.11 H new ATOM 0 HA LYS A 39 -10.442 1.172 -5.061 1.00 33.43 H new ATOM 0 HB2 LYS A 39 -9.257 3.377 -6.770 1.00 44.45 H new ATOM 0 HB3 LYS A 39 -9.911 1.946 -7.541 1.00 44.45 H new ATOM 0 HG2 LYS A 39 -11.652 3.553 -7.616 1.00 32.24 H new ATOM 0 HG3 LYS A 39 -12.121 2.424 -6.360 1.00 32.24 H new ATOM 0 HD2 LYS A 39 -11.406 3.990 -4.610 1.00 10.23 H new ATOM 0 HD3 LYS A 39 -10.752 5.091 -5.807 1.00 10.23 H new ATOM 0 HE2 LYS A 39 -13.699 4.356 -5.486 1.00 4.53 H new ATOM 0 HE3 LYS A 39 -12.960 5.862 -4.982 1.00 4.53 H new ATOM 0 HZ1 LYS A 39 -13.968 6.268 -7.049 1.00 1.15 H new ATOM 0 HZ2 LYS A 39 -12.305 6.172 -7.379 1.00 1.15 H new ATOM 0 HZ3 LYS A 39 -13.321 4.864 -7.752 1.00 1.15 H new ATOM 619 N VAL A 40 -7.298 1.296 -6.245 1.00 53.04 N ATOM 620 CA VAL A 40 -6.251 0.551 -6.961 1.00 4.13 C ATOM 621 C VAL A 40 -5.552 -0.491 -6.059 1.00 52.11 C ATOM 622 O VAL A 40 -4.982 -1.453 -6.557 1.00 24.32 O ATOM 623 CB VAL A 40 -5.202 1.524 -7.624 1.00 11.50 C ATOM 624 CG1 VAL A 40 -4.220 2.133 -6.594 1.00 25.11 C ATOM 625 CG2 VAL A 40 -4.456 0.843 -8.788 1.00 71.44 C ATOM 0 H VAL A 40 -7.069 2.277 -6.085 1.00 53.04 H new ATOM 0 HA VAL A 40 -6.749 -0.000 -7.759 1.00 4.13 H new ATOM 0 HB VAL A 40 -5.770 2.357 -8.038 1.00 11.50 H new ATOM 0 HG11 VAL A 40 -3.520 2.794 -7.105 1.00 25.11 H new ATOM 0 HG12 VAL A 40 -4.779 2.701 -5.850 1.00 25.11 H new ATOM 0 HG13 VAL A 40 -3.668 1.333 -6.100 1.00 25.11 H new ATOM 0 HG21 VAL A 40 -3.741 1.543 -9.221 1.00 71.44 H new ATOM 0 HG22 VAL A 40 -3.926 -0.034 -8.417 1.00 71.44 H new ATOM 0 HG23 VAL A 40 -5.173 0.538 -9.551 1.00 71.44 H new ATOM 635 N LEU A 41 -5.604 -0.280 -4.735 1.00 42.45 N ATOM 636 CA LEU A 41 -5.065 -1.224 -3.741 1.00 25.35 C ATOM 637 C LEU A 41 -5.967 -2.467 -3.627 1.00 13.30 C ATOM 638 O LEU A 41 -5.481 -3.601 -3.544 1.00 72.52 O ATOM 639 CB LEU A 41 -4.916 -0.504 -2.356 1.00 44.32 C ATOM 640 CG LEU A 41 -3.486 -0.543 -1.726 1.00 52.22 C ATOM 641 CD1 LEU A 41 -3.036 -1.989 -1.386 1.00 54.03 C ATOM 642 CD2 LEU A 41 -2.448 0.174 -2.625 1.00 12.44 C ATOM 0 H LEU A 41 -6.022 0.553 -4.321 1.00 42.45 H new ATOM 0 HA LEU A 41 -4.080 -1.561 -4.066 1.00 25.35 H new ATOM 0 HB2 LEU A 41 -5.213 0.538 -2.474 1.00 44.32 H new ATOM 0 HB3 LEU A 41 -5.616 -0.957 -1.654 1.00 44.32 H new ATOM 0 HG LEU A 41 -3.542 0.004 -0.785 1.00 52.22 H new ATOM 0 HD11 LEU A 41 -2.037 -1.966 -0.951 1.00 54.03 H new ATOM 0 HD12 LEU A 41 -3.733 -2.429 -0.672 1.00 54.03 H new ATOM 0 HD13 LEU A 41 -3.022 -2.589 -2.296 1.00 54.03 H new ATOM 0 HD21 LEU A 41 -1.466 0.127 -2.155 1.00 12.44 H new ATOM 0 HD22 LEU A 41 -2.409 -0.316 -3.598 1.00 12.44 H new ATOM 0 HD23 LEU A 41 -2.738 1.217 -2.755 1.00 12.44 H new ATOM 654 N ASN A 42 -7.289 -2.218 -3.635 1.00 21.45 N ATOM 655 CA ASN A 42 -8.319 -3.270 -3.549 1.00 10.45 C ATOM 656 C ASN A 42 -8.391 -4.052 -4.882 1.00 51.35 C ATOM 657 O ASN A 42 -8.758 -5.228 -4.900 1.00 32.54 O ATOM 658 CB ASN A 42 -9.693 -2.636 -3.186 1.00 63.42 C ATOM 659 CG ASN A 42 -10.778 -3.671 -2.857 1.00 55.24 C ATOM 660 OD1 ASN A 42 -10.953 -4.057 -1.701 1.00 53.52 O ATOM 661 ND2 ASN A 42 -11.490 -4.146 -3.862 1.00 34.31 N ATOM 0 H ASN A 42 -7.675 -1.276 -3.702 1.00 21.45 H new ATOM 0 HA ASN A 42 -8.054 -3.976 -2.762 1.00 10.45 H new ATOM 0 HB2 ASN A 42 -9.563 -1.973 -2.331 1.00 63.42 H new ATOM 0 HB3 ASN A 42 -10.031 -2.019 -4.019 1.00 63.42 H new ATOM 0 HD21 ASN A 42 -12.207 -4.851 -3.691 1.00 34.31 H new ATOM 0 HD22 ASN A 42 -11.323 -3.808 -4.810 1.00 34.31 H new ATOM 668 N GLU A 43 -8.018 -3.383 -5.993 1.00 30.04 N ATOM 669 CA GLU A 43 -7.884 -4.027 -7.312 1.00 40.15 C ATOM 670 C GLU A 43 -6.591 -4.860 -7.366 1.00 3.35 C ATOM 671 O GLU A 43 -6.578 -5.979 -7.884 1.00 73.23 O ATOM 672 CB GLU A 43 -7.881 -2.956 -8.434 1.00 24.32 C ATOM 673 CG GLU A 43 -9.169 -2.112 -8.530 1.00 34.01 C ATOM 674 CD GLU A 43 -10.424 -2.924 -8.902 1.00 51.13 C ATOM 675 OE1 GLU A 43 -10.722 -3.064 -10.105 1.00 60.52 O ATOM 676 OE2 GLU A 43 -11.126 -3.414 -8.003 1.00 11.24 O ATOM 0 H GLU A 43 -7.803 -2.386 -5.999 1.00 30.04 H new ATOM 0 HA GLU A 43 -8.735 -4.691 -7.467 1.00 40.15 H new ATOM 0 HB2 GLU A 43 -7.036 -2.286 -8.274 1.00 24.32 H new ATOM 0 HB3 GLU A 43 -7.718 -3.453 -9.390 1.00 24.32 H new ATOM 0 HG2 GLU A 43 -9.339 -1.617 -7.574 1.00 34.01 H new ATOM 0 HG3 GLU A 43 -9.023 -1.328 -9.273 1.00 34.01 H new ATOM 683 N LEU A 44 -5.509 -4.306 -6.790 1.00 43.22 N ATOM 684 CA LEU A 44 -4.190 -4.958 -6.771 1.00 14.24 C ATOM 685 C LEU A 44 -4.202 -6.180 -5.836 1.00 24.13 C ATOM 686 O LEU A 44 -3.402 -7.102 -5.996 1.00 35.11 O ATOM 687 CB LEU A 44 -3.089 -3.951 -6.346 1.00 12.24 C ATOM 688 CG LEU A 44 -1.622 -4.426 -6.571 1.00 1.12 C ATOM 689 CD1 LEU A 44 -1.393 -4.812 -8.052 1.00 15.54 C ATOM 690 CD2 LEU A 44 -0.609 -3.363 -6.089 1.00 43.54 C ATOM 0 H LEU A 44 -5.525 -3.397 -6.327 1.00 43.22 H new ATOM 0 HA LEU A 44 -3.964 -5.304 -7.780 1.00 14.24 H new ATOM 0 HB2 LEU A 44 -3.240 -3.022 -6.895 1.00 12.24 H new ATOM 0 HB3 LEU A 44 -3.220 -3.721 -5.289 1.00 12.24 H new ATOM 0 HG LEU A 44 -1.456 -5.319 -5.969 1.00 1.12 H new ATOM 0 HD11 LEU A 44 -0.363 -5.141 -8.187 1.00 15.54 H new ATOM 0 HD12 LEU A 44 -2.071 -5.620 -8.326 1.00 15.54 H new ATOM 0 HD13 LEU A 44 -1.584 -3.947 -8.687 1.00 15.54 H new ATOM 0 HD21 LEU A 44 0.405 -3.724 -6.259 1.00 43.54 H new ATOM 0 HD22 LEU A 44 -0.763 -2.437 -6.643 1.00 43.54 H new ATOM 0 HD23 LEU A 44 -0.754 -3.178 -5.025 1.00 43.54 H new ATOM 702 N LYS A 45 -5.145 -6.164 -4.872 1.00 43.42 N ATOM 703 CA LYS A 45 -5.411 -7.284 -3.957 1.00 51.12 C ATOM 704 C LYS A 45 -5.688 -8.587 -4.730 1.00 2.23 C ATOM 705 O LYS A 45 -5.207 -9.647 -4.339 1.00 54.15 O ATOM 706 CB LYS A 45 -6.617 -6.929 -3.059 1.00 64.24 C ATOM 707 CG LYS A 45 -7.067 -8.039 -2.085 1.00 64.43 C ATOM 708 CD LYS A 45 -8.227 -7.590 -1.167 1.00 11.04 C ATOM 709 CE LYS A 45 -9.464 -7.133 -1.956 1.00 53.24 C ATOM 710 NZ LYS A 45 -10.566 -6.709 -1.056 1.00 32.42 N ATOM 0 H LYS A 45 -5.750 -5.359 -4.708 1.00 43.42 H new ATOM 0 HA LYS A 45 -4.527 -7.449 -3.341 1.00 51.12 H new ATOM 0 HB2 LYS A 45 -6.368 -6.040 -2.480 1.00 64.24 H new ATOM 0 HB3 LYS A 45 -7.460 -6.667 -3.699 1.00 64.24 H new ATOM 0 HG2 LYS A 45 -7.378 -8.914 -2.656 1.00 64.43 H new ATOM 0 HG3 LYS A 45 -6.220 -8.344 -1.471 1.00 64.43 H new ATOM 0 HD2 LYS A 45 -8.504 -8.414 -0.509 1.00 11.04 H new ATOM 0 HD3 LYS A 45 -7.886 -6.774 -0.530 1.00 11.04 H new ATOM 0 HE2 LYS A 45 -9.192 -6.306 -2.612 1.00 53.24 H new ATOM 0 HE3 LYS A 45 -9.809 -7.946 -2.595 1.00 53.24 H new ATOM 0 HZ1 LYS A 45 -11.479 -6.986 -1.471 1.00 32.42 H new ATOM 0 HZ2 LYS A 45 -10.453 -7.168 -0.129 1.00 32.42 H new ATOM 0 HZ3 LYS A 45 -10.539 -5.676 -0.937 1.00 32.42 H new ATOM 724 N ASP A 46 -6.431 -8.463 -5.852 1.00 71.32 N ATOM 725 CA ASP A 46 -6.738 -9.583 -6.763 1.00 55.20 C ATOM 726 C ASP A 46 -5.449 -10.228 -7.300 1.00 20.34 C ATOM 727 O ASP A 46 -5.327 -11.451 -7.321 1.00 31.21 O ATOM 728 CB ASP A 46 -7.620 -9.087 -7.940 1.00 51.13 C ATOM 729 CG ASP A 46 -7.937 -10.192 -8.970 1.00 51.44 C ATOM 730 OD1 ASP A 46 -8.839 -11.026 -8.711 1.00 51.33 O ATOM 731 OD2 ASP A 46 -7.282 -10.244 -10.037 1.00 73.21 O ATOM 0 H ASP A 46 -6.836 -7.576 -6.151 1.00 71.32 H new ATOM 0 HA ASP A 46 -7.286 -10.339 -6.201 1.00 55.20 H new ATOM 0 HB2 ASP A 46 -8.554 -8.690 -7.543 1.00 51.13 H new ATOM 0 HB3 ASP A 46 -7.113 -8.264 -8.444 1.00 51.13 H new ATOM 736 N TYR A 47 -4.488 -9.377 -7.700 1.00 34.15 N ATOM 737 CA TYR A 47 -3.190 -9.817 -8.239 1.00 21.14 C ATOM 738 C TYR A 47 -2.358 -10.525 -7.151 1.00 1.42 C ATOM 739 O TYR A 47 -1.970 -11.673 -7.329 1.00 31.30 O ATOM 740 CB TYR A 47 -2.393 -8.615 -8.823 1.00 73.23 C ATOM 741 CG TYR A 47 -3.051 -7.957 -10.045 1.00 20.31 C ATOM 742 CD1 TYR A 47 -4.078 -7.017 -9.899 1.00 73.14 C ATOM 743 CD2 TYR A 47 -2.646 -8.277 -11.344 1.00 73.02 C ATOM 744 CE1 TYR A 47 -4.672 -6.426 -10.997 1.00 61.13 C ATOM 745 CE2 TYR A 47 -3.240 -7.686 -12.443 1.00 51.33 C ATOM 746 CZ TYR A 47 -4.250 -6.763 -12.263 1.00 74.35 C ATOM 747 OH TYR A 47 -4.844 -6.177 -13.360 1.00 31.02 O ATOM 0 H TYR A 47 -4.590 -8.363 -7.658 1.00 34.15 H new ATOM 0 HA TYR A 47 -3.387 -10.525 -9.044 1.00 21.14 H new ATOM 0 HB2 TYR A 47 -2.268 -7.864 -8.043 1.00 73.23 H new ATOM 0 HB3 TYR A 47 -1.396 -8.956 -9.101 1.00 73.23 H new ATOM 0 HD1 TYR A 47 -4.413 -6.749 -8.908 1.00 73.14 H new ATOM 0 HD2 TYR A 47 -1.856 -8.998 -11.491 1.00 73.02 H new ATOM 0 HE1 TYR A 47 -5.463 -5.703 -10.863 1.00 61.13 H new ATOM 0 HE2 TYR A 47 -2.915 -7.946 -13.440 1.00 51.33 H new ATOM 0 HH TYR A 47 -4.431 -6.522 -14.179 1.00 31.02 H new ATOM 757 N ILE A 48 -2.147 -9.831 -6.010 1.00 13.21 N ATOM 758 CA ILE A 48 -1.299 -10.311 -4.889 1.00 54.42 C ATOM 759 C ILE A 48 -1.811 -11.670 -4.326 1.00 42.42 C ATOM 760 O ILE A 48 -1.025 -12.579 -4.055 1.00 43.31 O ATOM 761 CB ILE A 48 -1.229 -9.231 -3.722 1.00 13.41 C ATOM 762 CG1 ILE A 48 -0.739 -7.848 -4.271 1.00 33.12 C ATOM 763 CG2 ILE A 48 -0.315 -9.710 -2.559 1.00 55.12 C ATOM 764 CD1 ILE A 48 -0.764 -6.704 -3.262 1.00 12.42 C ATOM 0 H ILE A 48 -2.562 -8.915 -5.837 1.00 13.21 H new ATOM 0 HA ILE A 48 -0.296 -10.462 -5.288 1.00 54.42 H new ATOM 0 HB ILE A 48 -2.237 -9.109 -3.327 1.00 13.41 H new ATOM 0 HG12 ILE A 48 0.280 -7.962 -4.642 1.00 33.12 H new ATOM 0 HG13 ILE A 48 -1.360 -7.573 -5.124 1.00 33.12 H new ATOM 0 HG21 ILE A 48 -0.290 -8.949 -1.779 1.00 55.12 H new ATOM 0 HG22 ILE A 48 -0.708 -10.639 -2.146 1.00 55.12 H new ATOM 0 HG23 ILE A 48 0.694 -9.878 -2.935 1.00 55.12 H new ATOM 0 HD11 ILE A 48 -0.407 -5.791 -3.738 1.00 12.42 H new ATOM 0 HD12 ILE A 48 -1.784 -6.554 -2.908 1.00 12.42 H new ATOM 0 HD13 ILE A 48 -0.119 -6.949 -2.418 1.00 12.42 H new ATOM 776 N LYS A 49 -3.144 -11.790 -4.222 1.00 60.22 N ATOM 777 CA LYS A 49 -3.841 -12.970 -3.663 1.00 50.21 C ATOM 778 C LYS A 49 -3.702 -14.195 -4.585 1.00 60.43 C ATOM 779 O LYS A 49 -3.371 -15.304 -4.148 1.00 3.43 O ATOM 780 CB LYS A 49 -5.343 -12.612 -3.490 1.00 62.35 C ATOM 781 CG LYS A 49 -6.212 -13.685 -2.813 1.00 4.44 C ATOM 782 CD LYS A 49 -7.679 -13.216 -2.648 1.00 63.34 C ATOM 783 CE LYS A 49 -8.528 -14.195 -1.829 1.00 32.11 C ATOM 784 NZ LYS A 49 -8.647 -15.529 -2.474 1.00 63.21 N ATOM 0 H LYS A 49 -3.784 -11.058 -4.529 1.00 60.22 H new ATOM 0 HA LYS A 49 -3.391 -13.227 -2.704 1.00 50.21 H new ATOM 0 HB2 LYS A 49 -5.414 -11.693 -2.908 1.00 62.35 H new ATOM 0 HB3 LYS A 49 -5.762 -12.399 -4.473 1.00 62.35 H new ATOM 0 HG2 LYS A 49 -6.187 -14.600 -3.405 1.00 4.44 H new ATOM 0 HG3 LYS A 49 -5.795 -13.927 -1.835 1.00 4.44 H new ATOM 0 HD2 LYS A 49 -7.691 -12.239 -2.164 1.00 63.34 H new ATOM 0 HD3 LYS A 49 -8.128 -13.089 -3.633 1.00 63.34 H new ATOM 0 HE2 LYS A 49 -8.087 -14.312 -0.839 1.00 32.11 H new ATOM 0 HE3 LYS A 49 -9.524 -13.775 -1.686 1.00 32.11 H new ATOM 0 HZ1 LYS A 49 -9.230 -16.151 -1.879 1.00 63.21 H new ATOM 0 HZ2 LYS A 49 -9.093 -15.425 -3.408 1.00 63.21 H new ATOM 0 HZ3 LYS A 49 -7.701 -15.946 -2.587 1.00 63.21 H new ATOM 798 N LYS A 50 -3.955 -13.954 -5.873 1.00 53.23 N ATOM 799 CA LYS A 50 -4.034 -14.994 -6.907 1.00 12.20 C ATOM 800 C LYS A 50 -2.635 -15.392 -7.415 1.00 61.22 C ATOM 801 O LYS A 50 -2.453 -16.491 -7.955 1.00 23.44 O ATOM 802 CB LYS A 50 -4.928 -14.452 -8.047 1.00 55.21 C ATOM 803 CG LYS A 50 -5.230 -15.407 -9.227 1.00 13.11 C ATOM 804 CD LYS A 50 -6.424 -14.897 -10.086 1.00 1.11 C ATOM 805 CE LYS A 50 -6.245 -13.449 -10.580 1.00 74.42 C ATOM 806 NZ LYS A 50 -7.494 -12.915 -11.206 1.00 13.24 N ATOM 0 H LYS A 50 -4.114 -13.014 -6.236 1.00 53.23 H new ATOM 0 HA LYS A 50 -4.470 -15.904 -6.495 1.00 12.20 H new ATOM 0 HB2 LYS A 50 -5.878 -14.142 -7.612 1.00 55.21 H new ATOM 0 HB3 LYS A 50 -4.455 -13.557 -8.450 1.00 55.21 H new ATOM 0 HG2 LYS A 50 -4.344 -15.502 -9.855 1.00 13.11 H new ATOM 0 HG3 LYS A 50 -5.456 -16.401 -8.842 1.00 13.11 H new ATOM 0 HD2 LYS A 50 -6.550 -15.554 -10.947 1.00 1.11 H new ATOM 0 HD3 LYS A 50 -7.340 -14.962 -9.498 1.00 1.11 H new ATOM 0 HE2 LYS A 50 -5.958 -12.813 -9.743 1.00 74.42 H new ATOM 0 HE3 LYS A 50 -5.431 -13.410 -11.304 1.00 74.42 H new ATOM 0 HZ1 LYS A 50 -7.645 -11.934 -10.896 1.00 13.24 H new ATOM 0 HZ2 LYS A 50 -7.402 -12.941 -12.242 1.00 13.24 H new ATOM 0 HZ3 LYS A 50 -8.305 -13.499 -10.916 1.00 13.24 H new ATOM 820 N GLN A 51 -1.648 -14.506 -7.206 1.00 53.13 N ATOM 821 CA GLN A 51 -0.250 -14.755 -7.594 1.00 32.40 C ATOM 822 C GLN A 51 0.396 -15.724 -6.587 1.00 64.31 C ATOM 823 O GLN A 51 0.408 -15.444 -5.383 1.00 23.21 O ATOM 824 CB GLN A 51 0.546 -13.416 -7.648 1.00 44.31 C ATOM 825 CG GLN A 51 1.952 -13.524 -8.274 1.00 43.14 C ATOM 826 CD GLN A 51 1.953 -13.983 -9.735 1.00 22.30 C ATOM 827 OE1 GLN A 51 2.860 -14.685 -10.173 1.00 21.04 O ATOM 828 NE2 GLN A 51 0.963 -13.562 -10.515 1.00 42.42 N ATOM 0 H GLN A 51 -1.796 -13.599 -6.764 1.00 53.13 H new ATOM 0 HA GLN A 51 -0.228 -15.204 -8.587 1.00 32.40 H new ATOM 0 HB2 GLN A 51 -0.034 -12.688 -8.215 1.00 44.31 H new ATOM 0 HB3 GLN A 51 0.644 -13.027 -6.635 1.00 44.31 H new ATOM 0 HG2 GLN A 51 2.442 -12.553 -8.209 1.00 43.14 H new ATOM 0 HG3 GLN A 51 2.548 -14.221 -7.685 1.00 43.14 H new ATOM 0 HE21 GLN A 51 0.221 -12.980 -10.127 1.00 42.42 H new ATOM 0 HE22 GLN A 51 0.945 -13.821 -11.501 1.00 42.42 H new ATOM 837 N GLY A 52 0.897 -16.868 -7.096 1.00 74.21 N ATOM 838 CA GLY A 52 1.602 -17.865 -6.289 1.00 50.42 C ATOM 839 C GLY A 52 2.991 -17.377 -5.905 1.00 65.10 C ATOM 840 O GLY A 52 3.996 -17.779 -6.506 1.00 14.14 O ATOM 0 H GLY A 52 0.820 -17.120 -8.081 1.00 74.21 H new ATOM 0 HA2 GLY A 52 1.027 -18.081 -5.388 1.00 50.42 H new ATOM 0 HA3 GLY A 52 1.682 -18.798 -6.847 1.00 50.42 H new ATOM 844 N CYS A 53 3.035 -16.479 -4.908 1.00 63.45 N ATOM 845 CA CYS A 53 4.253 -15.747 -4.528 1.00 20.54 C ATOM 846 C CYS A 53 4.376 -15.710 -2.995 1.00 55.51 C ATOM 847 O CYS A 53 3.376 -15.477 -2.296 1.00 61.14 O ATOM 848 CB CYS A 53 4.197 -14.322 -5.121 1.00 34.15 C ATOM 849 SG CYS A 53 5.820 -13.491 -5.180 1.00 21.04 S ATOM 0 H CYS A 53 2.222 -16.239 -4.340 1.00 63.45 H new ATOM 0 HA CYS A 53 5.134 -16.251 -4.926 1.00 20.54 H new ATOM 0 HB2 CYS A 53 3.788 -14.373 -6.130 1.00 34.15 H new ATOM 0 HB3 CYS A 53 3.510 -13.718 -4.528 1.00 34.15 H new ATOM 854 N LYS A 54 5.598 -15.962 -2.482 1.00 12.41 N ATOM 855 CA LYS A 54 5.859 -16.078 -1.034 1.00 24.11 C ATOM 856 C LYS A 54 5.862 -14.690 -0.354 1.00 62.21 C ATOM 857 O LYS A 54 4.988 -14.388 0.469 1.00 51.04 O ATOM 858 CB LYS A 54 7.216 -16.805 -0.791 1.00 73.05 C ATOM 859 CG LYS A 54 7.602 -16.917 0.699 1.00 2.10 C ATOM 860 CD LYS A 54 8.948 -17.631 0.921 1.00 62.21 C ATOM 861 CE LYS A 54 9.318 -17.714 2.407 1.00 52.22 C ATOM 862 NZ LYS A 54 8.300 -18.457 3.199 1.00 3.22 N ATOM 0 H LYS A 54 6.429 -16.090 -3.059 1.00 12.41 H new ATOM 0 HA LYS A 54 5.056 -16.667 -0.590 1.00 24.11 H new ATOM 0 HB2 LYS A 54 7.164 -17.806 -1.220 1.00 73.05 H new ATOM 0 HB3 LYS A 54 8.004 -16.271 -1.322 1.00 73.05 H new ATOM 0 HG2 LYS A 54 7.652 -15.918 1.132 1.00 2.10 H new ATOM 0 HG3 LYS A 54 6.819 -17.456 1.232 1.00 2.10 H new ATOM 0 HD2 LYS A 54 8.898 -18.637 0.504 1.00 62.21 H new ATOM 0 HD3 LYS A 54 9.733 -17.101 0.381 1.00 62.21 H new ATOM 0 HE2 LYS A 54 10.286 -18.204 2.512 1.00 52.22 H new ATOM 0 HE3 LYS A 54 9.425 -16.707 2.810 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 8.660 -18.621 4.161 1.00 3.22 H new ATOM 0 HZ2 LYS A 54 7.423 -17.899 3.248 1.00 3.22 H new ATOM 0 HZ3 LYS A 54 8.104 -19.371 2.742 1.00 3.22 H new ATOM 876 N ARG A 55 6.844 -13.850 -0.722 1.00 64.21 N ATOM 877 CA ARG A 55 7.092 -12.550 -0.059 1.00 23.11 C ATOM 878 C ARG A 55 6.441 -11.421 -0.870 1.00 23.14 C ATOM 879 O ARG A 55 6.551 -11.404 -2.089 1.00 74.15 O ATOM 880 CB ARG A 55 8.626 -12.334 0.060 1.00 2.53 C ATOM 881 CG ARG A 55 9.075 -11.040 0.777 1.00 23.51 C ATOM 882 CD ARG A 55 8.645 -10.993 2.249 1.00 15.24 C ATOM 883 NE ARG A 55 9.206 -12.102 3.037 1.00 23.32 N ATOM 884 CZ ARG A 55 8.770 -12.504 4.248 1.00 30.21 C ATOM 885 NH1 ARG A 55 7.734 -11.914 4.850 1.00 4.25 N ATOM 886 NH2 ARG A 55 9.384 -13.509 4.857 1.00 22.42 N ATOM 0 H ARG A 55 7.490 -14.049 -1.486 1.00 64.21 H new ATOM 0 HA ARG A 55 6.653 -12.546 0.939 1.00 23.11 H new ATOM 0 HB2 ARG A 55 9.053 -13.186 0.590 1.00 2.53 H new ATOM 0 HB3 ARG A 55 9.052 -12.336 -0.943 1.00 2.53 H new ATOM 0 HG2 ARG A 55 10.160 -10.956 0.718 1.00 23.51 H new ATOM 0 HG3 ARG A 55 8.659 -10.178 0.255 1.00 23.51 H new ATOM 0 HD2 ARG A 55 8.960 -10.046 2.686 1.00 15.24 H new ATOM 0 HD3 ARG A 55 7.557 -11.024 2.307 1.00 15.24 H new ATOM 0 HE ARG A 55 9.992 -12.610 2.632 1.00 23.32 H new ATOM 0 HH11 ARG A 55 7.252 -11.140 4.393 1.00 4.25 H new ATOM 0 HH12 ARG A 55 7.425 -12.238 5.766 1.00 4.25 H new ATOM 0 HH21 ARG A 55 10.177 -13.969 4.409 1.00 22.42 H new ATOM 0 HH22 ARG A 55 9.064 -13.822 5.773 1.00 22.42 H new ATOM 900 N SER A 56 5.733 -10.510 -0.185 1.00 4.45 N ATOM 901 CA SER A 56 5.115 -9.331 -0.809 1.00 44.32 C ATOM 902 C SER A 56 5.300 -8.115 0.122 1.00 43.30 C ATOM 903 O SER A 56 4.973 -8.190 1.317 1.00 10.24 O ATOM 904 CB SER A 56 3.618 -9.616 -1.092 1.00 51.55 C ATOM 905 OG SER A 56 3.033 -8.590 -1.872 1.00 11.03 O ATOM 0 H SER A 56 5.573 -10.571 0.820 1.00 4.45 H new ATOM 0 HA SER A 56 5.595 -9.108 -1.762 1.00 44.32 H new ATOM 0 HB2 SER A 56 3.520 -10.570 -1.611 1.00 51.55 H new ATOM 0 HB3 SER A 56 3.080 -9.709 -0.149 1.00 51.55 H new ATOM 0 HG SER A 56 3.610 -8.393 -2.639 1.00 11.03 H new ATOM 911 N ARG A 57 5.839 -7.003 -0.421 1.00 44.03 N ATOM 912 CA ARG A 57 6.095 -5.768 0.352 1.00 2.21 C ATOM 913 C ARG A 57 5.738 -4.545 -0.506 1.00 4.22 C ATOM 914 O ARG A 57 6.279 -4.382 -1.599 1.00 31.45 O ATOM 915 CB ARG A 57 7.588 -5.686 0.810 1.00 41.42 C ATOM 916 CG ARG A 57 7.885 -4.518 1.788 1.00 22.15 C ATOM 917 CD ARG A 57 9.362 -4.450 2.245 1.00 71.51 C ATOM 918 NE ARG A 57 10.247 -3.824 1.237 1.00 1.11 N ATOM 919 CZ ARG A 57 11.571 -3.622 1.396 1.00 4.22 C ATOM 920 NH1 ARG A 57 12.188 -3.996 2.517 1.00 72.30 N ATOM 921 NH2 ARG A 57 12.271 -2.992 0.450 1.00 12.34 N ATOM 0 H ARG A 57 6.108 -6.935 -1.403 1.00 44.03 H new ATOM 0 HA ARG A 57 5.472 -5.784 1.246 1.00 2.21 H new ATOM 0 HB2 ARG A 57 7.863 -6.626 1.289 1.00 41.42 H new ATOM 0 HB3 ARG A 57 8.222 -5.579 -0.070 1.00 41.42 H new ATOM 0 HG2 ARG A 57 7.619 -3.577 1.307 1.00 22.15 H new ATOM 0 HG3 ARG A 57 7.247 -4.619 2.666 1.00 22.15 H new ATOM 0 HD2 ARG A 57 9.424 -3.886 3.176 1.00 71.51 H new ATOM 0 HD3 ARG A 57 9.718 -5.458 2.458 1.00 71.51 H new ATOM 0 HE ARG A 57 9.825 -3.524 0.358 1.00 1.11 H new ATOM 0 HH11 ARG A 57 11.658 -4.441 3.267 1.00 72.30 H new ATOM 0 HH12 ARG A 57 13.190 -3.838 2.625 1.00 72.30 H new ATOM 0 HH21 ARG A 57 11.805 -2.662 -0.395 1.00 12.34 H new ATOM 0 HH22 ARG A 57 13.272 -2.840 0.572 1.00 12.34 H new ATOM 935 N THR A 58 4.832 -3.692 0.000 1.00 43.44 N ATOM 936 CA THR A 58 4.375 -2.481 -0.706 1.00 12.41 C ATOM 937 C THR A 58 5.075 -1.231 -0.138 1.00 55.52 C ATOM 938 O THR A 58 5.449 -1.205 1.038 1.00 40.02 O ATOM 939 CB THR A 58 2.821 -2.312 -0.595 1.00 74.24 C ATOM 940 OG1 THR A 58 2.179 -3.593 -0.736 1.00 34.12 O ATOM 941 CG2 THR A 58 2.277 -1.351 -1.678 1.00 12.01 C ATOM 0 H THR A 58 4.394 -3.822 0.912 1.00 43.44 H new ATOM 0 HA THR A 58 4.636 -2.593 -1.758 1.00 12.41 H new ATOM 0 HB THR A 58 2.602 -1.888 0.385 1.00 74.24 H new ATOM 0 HG1 THR A 58 1.208 -3.482 -0.664 1.00 34.12 H new ATOM 0 HG21 THR A 58 1.196 -1.257 -1.571 1.00 12.01 H new ATOM 0 HG22 THR A 58 2.740 -0.371 -1.561 1.00 12.01 H new ATOM 0 HG23 THR A 58 2.511 -1.747 -2.666 1.00 12.01 H new ATOM 949 N SER A 59 5.244 -0.203 -0.987 1.00 22.25 N ATOM 950 CA SER A 59 5.871 1.065 -0.612 1.00 41.14 C ATOM 951 C SER A 59 5.120 2.212 -1.330 1.00 62.15 C ATOM 952 O SER A 59 5.066 2.243 -2.560 1.00 15.14 O ATOM 953 CB SER A 59 7.379 1.010 -0.992 1.00 53.34 C ATOM 954 OG SER A 59 8.136 1.942 -0.259 1.00 23.24 O ATOM 0 H SER A 59 4.944 -0.235 -1.961 1.00 22.25 H new ATOM 0 HA SER A 59 5.809 1.244 0.461 1.00 41.14 H new ATOM 0 HB2 SER A 59 7.763 0.006 -0.811 1.00 53.34 H new ATOM 0 HB3 SER A 59 7.493 1.207 -2.058 1.00 53.34 H new ATOM 0 HG SER A 59 9.078 1.878 -0.522 1.00 23.24 H new ATOM 960 N ILE A 60 4.533 3.140 -0.544 1.00 42.13 N ATOM 961 CA ILE A 60 3.651 4.223 -1.045 1.00 43.04 C ATOM 962 C ILE A 60 4.263 5.604 -0.728 1.00 0.22 C ATOM 963 O ILE A 60 4.589 5.869 0.438 1.00 0.42 O ATOM 964 CB ILE A 60 2.215 4.120 -0.385 1.00 72.24 C ATOM 965 CG1 ILE A 60 1.496 2.799 -0.802 1.00 22.34 C ATOM 966 CG2 ILE A 60 1.340 5.352 -0.718 1.00 1.00 C ATOM 967 CD1 ILE A 60 0.058 2.687 -0.319 1.00 42.42 C ATOM 0 H ILE A 60 4.658 3.161 0.468 1.00 42.13 H new ATOM 0 HA ILE A 60 3.556 4.111 -2.125 1.00 43.04 H new ATOM 0 HB ILE A 60 2.359 4.102 0.695 1.00 72.24 H new ATOM 0 HG12 ILE A 60 1.508 2.720 -1.889 1.00 22.34 H new ATOM 0 HG13 ILE A 60 2.064 1.953 -0.415 1.00 22.34 H new ATOM 0 HG21 ILE A 60 0.363 5.243 -0.247 1.00 1.00 H new ATOM 0 HG22 ILE A 60 1.824 6.254 -0.344 1.00 1.00 H new ATOM 0 HG23 ILE A 60 1.215 5.428 -1.798 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -0.365 1.740 -0.653 1.00 42.42 H new ATOM 0 HD12 ILE A 60 0.035 2.731 0.770 1.00 42.42 H new ATOM 0 HD13 ILE A 60 -0.528 3.510 -0.727 1.00 42.42 H new ATOM 979 N THR A 61 4.399 6.475 -1.760 1.00 71.52 N ATOM 980 CA THR A 61 4.932 7.842 -1.608 1.00 51.33 C ATOM 981 C THR A 61 4.053 8.670 -0.639 1.00 41.40 C ATOM 982 O THR A 61 2.841 8.812 -0.842 1.00 33.10 O ATOM 983 CB THR A 61 5.027 8.562 -2.997 1.00 4.44 C ATOM 984 OG1 THR A 61 5.873 7.804 -3.879 1.00 32.42 O ATOM 985 CG2 THR A 61 5.569 10.000 -2.889 1.00 23.44 C ATOM 0 H THR A 61 4.140 6.244 -2.719 1.00 71.52 H new ATOM 0 HA THR A 61 5.935 7.764 -1.188 1.00 51.33 H new ATOM 0 HB THR A 61 4.013 8.623 -3.392 1.00 4.44 H new ATOM 0 HG1 THR A 61 5.929 8.256 -4.747 1.00 32.42 H new ATOM 0 HG21 THR A 61 5.612 10.448 -3.882 1.00 23.44 H new ATOM 0 HG22 THR A 61 4.910 10.591 -2.253 1.00 23.44 H new ATOM 0 HG23 THR A 61 6.569 9.980 -2.456 1.00 23.44 H new ATOM 993 N ALA A 62 4.697 9.207 0.403 1.00 22.42 N ATOM 994 CA ALA A 62 4.043 9.933 1.496 1.00 20.42 C ATOM 995 C ALA A 62 4.775 11.261 1.737 1.00 3.23 C ATOM 996 O ALA A 62 5.864 11.274 2.319 1.00 21.10 O ATOM 997 CB ALA A 62 4.054 9.052 2.753 1.00 11.21 C ATOM 0 H ALA A 62 5.709 9.147 0.512 1.00 22.42 H new ATOM 0 HA ALA A 62 3.008 10.160 1.240 1.00 20.42 H new ATOM 0 HB1 ALA A 62 3.570 9.582 3.573 1.00 11.21 H new ATOM 0 HB2 ALA A 62 3.516 8.125 2.552 1.00 11.21 H new ATOM 0 HB3 ALA A 62 5.084 8.822 3.027 1.00 11.21 H new ATOM 1003 N ARG A 63 4.183 12.372 1.249 1.00 32.22 N ATOM 1004 CA ARG A 63 4.780 13.728 1.361 1.00 0.12 C ATOM 1005 C ARG A 63 5.033 14.137 2.832 1.00 5.25 C ATOM 1006 O ARG A 63 6.011 14.834 3.139 1.00 41.45 O ATOM 1007 CB ARG A 63 3.902 14.792 0.614 1.00 40.13 C ATOM 1008 CG ARG A 63 4.238 14.976 -0.890 1.00 31.33 C ATOM 1009 CD ARG A 63 5.685 15.472 -1.102 1.00 53.43 C ATOM 1010 NE ARG A 63 5.983 15.786 -2.511 1.00 32.03 N ATOM 1011 CZ ARG A 63 7.148 15.523 -3.132 1.00 51.31 C ATOM 1012 NH1 ARG A 63 8.150 14.920 -2.496 1.00 33.14 N ATOM 1013 NH2 ARG A 63 7.319 15.899 -4.389 1.00 61.22 N ATOM 0 H ARG A 63 3.283 12.359 0.769 1.00 32.22 H new ATOM 0 HA ARG A 63 5.754 13.691 0.874 1.00 0.12 H new ATOM 0 HB2 ARG A 63 2.854 14.506 0.705 1.00 40.13 H new ATOM 0 HB3 ARG A 63 4.015 15.753 1.117 1.00 40.13 H new ATOM 0 HG2 ARG A 63 4.099 14.029 -1.411 1.00 31.33 H new ATOM 0 HG3 ARG A 63 3.542 15.688 -1.333 1.00 31.33 H new ATOM 0 HD2 ARG A 63 5.852 16.361 -0.494 1.00 53.43 H new ATOM 0 HD3 ARG A 63 6.380 14.710 -0.750 1.00 53.43 H new ATOM 0 HE ARG A 63 5.250 16.237 -3.058 1.00 32.03 H new ATOM 0 HH11 ARG A 63 8.043 14.648 -1.519 1.00 33.14 H new ATOM 0 HH12 ARG A 63 9.024 14.730 -2.986 1.00 33.14 H new ATOM 0 HH21 ARG A 63 6.570 16.385 -4.882 1.00 61.22 H new ATOM 0 HH22 ARG A 63 8.200 15.703 -4.865 1.00 61.22 H new ATOM 1027 N THR A 64 4.140 13.695 3.728 1.00 3.30 N ATOM 1028 CA THR A 64 4.269 13.877 5.186 1.00 53.11 C ATOM 1029 C THR A 64 4.098 12.520 5.899 1.00 24.55 C ATOM 1030 O THR A 64 3.648 11.538 5.287 1.00 5.32 O ATOM 1031 CB THR A 64 3.208 14.903 5.718 1.00 54.30 C ATOM 1032 OG1 THR A 64 1.895 14.524 5.275 1.00 35.53 O ATOM 1033 CG2 THR A 64 3.505 16.339 5.258 1.00 73.13 C ATOM 0 H THR A 64 3.294 13.193 3.459 1.00 3.30 H new ATOM 0 HA THR A 64 5.262 14.273 5.398 1.00 53.11 H new ATOM 0 HB THR A 64 3.259 14.884 6.807 1.00 54.30 H new ATOM 0 HG1 THR A 64 1.706 14.949 4.412 1.00 35.53 H new ATOM 0 HG21 THR A 64 2.743 17.012 5.651 1.00 73.13 H new ATOM 0 HG22 THR A 64 4.484 16.644 5.627 1.00 73.13 H new ATOM 0 HG23 THR A 64 3.499 16.381 4.169 1.00 73.13 H new ATOM 1041 N LYS A 65 4.460 12.483 7.200 1.00 54.12 N ATOM 1042 CA LYS A 65 4.221 11.311 8.066 1.00 21.14 C ATOM 1043 C LYS A 65 2.708 11.086 8.249 1.00 5.33 C ATOM 1044 O LYS A 65 2.264 9.957 8.428 1.00 1.30 O ATOM 1045 CB LYS A 65 4.915 11.490 9.441 1.00 51.44 C ATOM 1046 CG LYS A 65 6.454 11.655 9.365 1.00 34.13 C ATOM 1047 CD LYS A 65 7.080 11.969 10.748 1.00 4.32 C ATOM 1048 CE LYS A 65 6.550 13.286 11.351 1.00 72.25 C ATOM 1049 NZ LYS A 65 7.148 13.568 12.686 1.00 5.42 N ATOM 0 H LYS A 65 4.922 13.258 7.675 1.00 54.12 H new ATOM 0 HA LYS A 65 4.650 10.433 7.584 1.00 21.14 H new ATOM 0 HB2 LYS A 65 4.492 12.364 9.937 1.00 51.44 H new ATOM 0 HB3 LYS A 65 4.685 10.627 10.066 1.00 51.44 H new ATOM 0 HG2 LYS A 65 6.896 10.741 8.967 1.00 34.13 H new ATOM 0 HG3 LYS A 65 6.697 12.457 8.668 1.00 34.13 H new ATOM 0 HD2 LYS A 65 6.869 11.148 11.434 1.00 4.32 H new ATOM 0 HD3 LYS A 65 8.164 12.029 10.647 1.00 4.32 H new ATOM 0 HE2 LYS A 65 6.771 14.110 10.673 1.00 72.25 H new ATOM 0 HE3 LYS A 65 5.465 13.232 11.444 1.00 72.25 H new ATOM 0 HZ1 LYS A 65 6.765 14.461 13.056 1.00 5.42 H new ATOM 0 HZ2 LYS A 65 6.916 12.794 13.341 1.00 5.42 H new ATOM 0 HZ3 LYS A 65 8.181 13.645 12.594 1.00 5.42 H new ATOM 1063 N LYS A 66 1.944 12.199 8.155 1.00 15.41 N ATOM 1064 CA LYS A 66 0.468 12.216 8.118 1.00 44.43 C ATOM 1065 C LYS A 66 -0.051 11.240 7.048 1.00 4.45 C ATOM 1066 O LYS A 66 -0.926 10.409 7.324 1.00 0.22 O ATOM 1067 CB LYS A 66 -0.013 13.674 7.827 1.00 21.21 C ATOM 1068 CG LYS A 66 -1.519 13.832 7.526 1.00 24.31 C ATOM 1069 CD LYS A 66 -2.431 13.515 8.731 1.00 4.45 C ATOM 1070 CE LYS A 66 -3.920 13.544 8.345 1.00 24.40 C ATOM 1071 NZ LYS A 66 -4.344 14.845 7.761 1.00 32.53 N ATOM 0 H LYS A 66 2.350 13.133 8.102 1.00 15.41 H new ATOM 0 HA LYS A 66 0.070 11.894 9.080 1.00 44.43 H new ATOM 0 HB2 LYS A 66 0.235 14.297 8.686 1.00 21.21 H new ATOM 0 HB3 LYS A 66 0.551 14.061 6.979 1.00 21.21 H new ATOM 0 HG2 LYS A 66 -1.709 14.854 7.197 1.00 24.31 H new ATOM 0 HG3 LYS A 66 -1.785 13.175 6.698 1.00 24.31 H new ATOM 0 HD2 LYS A 66 -2.178 12.532 9.129 1.00 4.45 H new ATOM 0 HD3 LYS A 66 -2.248 14.238 9.526 1.00 4.45 H new ATOM 0 HE2 LYS A 66 -4.119 12.748 7.628 1.00 24.40 H new ATOM 0 HE3 LYS A 66 -4.523 13.335 9.229 1.00 24.40 H new ATOM 0 HZ1 LYS A 66 -5.369 14.828 7.584 1.00 32.53 H new ATOM 0 HZ2 LYS A 66 -4.120 15.613 8.425 1.00 32.53 H new ATOM 0 HZ3 LYS A 66 -3.840 15.004 6.865 1.00 32.53 H new ATOM 1085 N GLU A 67 0.549 11.321 5.851 1.00 34.05 N ATOM 1086 CA GLU A 67 0.223 10.437 4.730 1.00 53.41 C ATOM 1087 C GLU A 67 0.650 8.993 5.044 1.00 25.32 C ATOM 1088 O GLU A 67 -0.144 8.062 4.896 1.00 1.22 O ATOM 1089 CB GLU A 67 0.938 10.916 3.441 1.00 51.42 C ATOM 1090 CG GLU A 67 0.748 12.402 3.097 1.00 71.44 C ATOM 1091 CD GLU A 67 -0.720 12.839 3.093 1.00 71.05 C ATOM 1092 OE1 GLU A 67 -1.497 12.278 2.298 1.00 44.12 O ATOM 1093 OE2 GLU A 67 -1.116 13.708 3.902 1.00 15.34 O ATOM 0 H GLU A 67 1.275 12.004 5.636 1.00 34.05 H new ATOM 0 HA GLU A 67 -0.856 10.466 4.575 1.00 53.41 H new ATOM 0 HB2 GLU A 67 2.005 10.717 3.542 1.00 51.42 H new ATOM 0 HB3 GLU A 67 0.580 10.318 2.603 1.00 51.42 H new ATOM 0 HG2 GLU A 67 1.298 13.008 3.817 1.00 71.44 H new ATOM 0 HG3 GLU A 67 1.182 12.599 2.117 1.00 71.44 H new ATOM 1100 N ALA A 68 1.896 8.858 5.532 1.00 62.03 N ATOM 1101 CA ALA A 68 2.545 7.563 5.796 1.00 54.15 C ATOM 1102 C ALA A 68 1.738 6.675 6.766 1.00 31.00 C ATOM 1103 O ALA A 68 1.663 5.461 6.587 1.00 14.02 O ATOM 1104 CB ALA A 68 3.959 7.805 6.337 1.00 60.04 C ATOM 0 H ALA A 68 2.488 9.657 5.757 1.00 62.03 H new ATOM 0 HA ALA A 68 2.594 7.020 4.852 1.00 54.15 H new ATOM 0 HB1 ALA A 68 4.442 6.848 6.533 1.00 60.04 H new ATOM 0 HB2 ALA A 68 4.540 8.360 5.601 1.00 60.04 H new ATOM 0 HB3 ALA A 68 3.901 8.379 7.262 1.00 60.04 H new ATOM 1110 N GLU A 69 1.117 7.311 7.769 1.00 61.15 N ATOM 1111 CA GLU A 69 0.353 6.620 8.826 1.00 61.30 C ATOM 1112 C GLU A 69 -1.023 6.150 8.324 1.00 53.20 C ATOM 1113 O GLU A 69 -1.412 5.005 8.562 1.00 51.42 O ATOM 1114 CB GLU A 69 0.236 7.544 10.065 1.00 1.44 C ATOM 1115 CG GLU A 69 1.603 7.872 10.706 1.00 25.20 C ATOM 1116 CD GLU A 69 1.497 8.836 11.891 1.00 31.42 C ATOM 1117 OE1 GLU A 69 1.175 8.375 13.014 1.00 53.10 O ATOM 1118 OE2 GLU A 69 1.689 10.064 11.709 1.00 73.13 O ATOM 0 H GLU A 69 1.129 8.326 7.874 1.00 61.15 H new ATOM 0 HA GLU A 69 0.891 5.717 9.115 1.00 61.30 H new ATOM 0 HB2 GLU A 69 -0.254 8.473 9.773 1.00 1.44 H new ATOM 0 HB3 GLU A 69 -0.402 7.066 10.808 1.00 1.44 H new ATOM 0 HG2 GLU A 69 2.072 6.946 11.040 1.00 25.20 H new ATOM 0 HG3 GLU A 69 2.257 8.306 9.950 1.00 25.20 H new ATOM 1125 N LYS A 70 -1.740 7.021 7.590 1.00 73.45 N ATOM 1126 CA LYS A 70 -3.109 6.709 7.125 1.00 4.42 C ATOM 1127 C LYS A 70 -3.114 5.782 5.899 1.00 21.14 C ATOM 1128 O LYS A 70 -4.100 5.084 5.641 1.00 40.25 O ATOM 1129 CB LYS A 70 -3.921 8.006 6.883 1.00 34.44 C ATOM 1130 CG LYS A 70 -3.402 8.984 5.800 1.00 52.32 C ATOM 1131 CD LYS A 70 -4.157 10.339 5.910 1.00 53.44 C ATOM 1132 CE LYS A 70 -3.571 11.448 5.040 1.00 61.12 C ATOM 1133 NZ LYS A 70 -3.607 11.112 3.608 1.00 30.21 N ATOM 0 H LYS A 70 -1.400 7.940 7.307 1.00 73.45 H new ATOM 0 HA LYS A 70 -3.605 6.155 7.922 1.00 4.42 H new ATOM 0 HB2 LYS A 70 -4.939 7.721 6.618 1.00 34.44 H new ATOM 0 HB3 LYS A 70 -3.977 8.548 7.827 1.00 34.44 H new ATOM 0 HG2 LYS A 70 -2.331 9.143 5.923 1.00 52.32 H new ATOM 0 HG3 LYS A 70 -3.548 8.555 4.809 1.00 52.32 H new ATOM 0 HD2 LYS A 70 -5.200 10.186 5.632 1.00 53.44 H new ATOM 0 HD3 LYS A 70 -4.149 10.665 6.950 1.00 53.44 H new ATOM 0 HE2 LYS A 70 -4.126 12.371 5.209 1.00 61.12 H new ATOM 0 HE3 LYS A 70 -2.540 11.637 5.341 1.00 61.12 H new ATOM 0 HZ1 LYS A 70 -2.958 11.737 3.088 1.00 30.21 H new ATOM 0 HZ2 LYS A 70 -3.315 10.122 3.476 1.00 30.21 H new ATOM 0 HZ3 LYS A 70 -4.574 11.239 3.246 1.00 30.21 H new ATOM 1147 N PHE A 71 -2.005 5.785 5.148 1.00 42.03 N ATOM 1148 CA PHE A 71 -1.821 4.894 3.984 1.00 32.11 C ATOM 1149 C PHE A 71 -1.161 3.566 4.382 1.00 23.34 C ATOM 1150 O PHE A 71 -1.222 2.584 3.630 1.00 44.30 O ATOM 1151 CB PHE A 71 -1.024 5.593 2.891 1.00 74.15 C ATOM 1152 CG PHE A 71 -1.676 6.870 2.338 1.00 4.52 C ATOM 1153 CD1 PHE A 71 -3.013 7.228 2.565 1.00 42.32 C ATOM 1154 CD2 PHE A 71 -0.922 7.693 1.569 1.00 23.43 C ATOM 1155 CE1 PHE A 71 -3.539 8.385 2.019 1.00 22.43 C ATOM 1156 CE2 PHE A 71 -1.436 8.853 1.025 1.00 12.40 C ATOM 1157 CZ PHE A 71 -2.743 9.198 1.251 1.00 11.24 C ATOM 0 H PHE A 71 -1.211 6.400 5.325 1.00 42.03 H new ATOM 0 HA PHE A 71 -2.810 4.659 3.591 1.00 32.11 H new ATOM 0 HB2 PHE A 71 -0.039 5.845 3.283 1.00 74.15 H new ATOM 0 HB3 PHE A 71 -0.871 4.894 2.069 1.00 74.15 H new ATOM 0 HD1 PHE A 71 -3.639 6.593 3.173 1.00 42.32 H new ATOM 0 HD2 PHE A 71 0.109 7.434 1.377 1.00 23.43 H new ATOM 0 HE1 PHE A 71 -4.572 8.648 2.196 1.00 22.43 H new ATOM 0 HE2 PHE A 71 -0.807 9.490 0.420 1.00 12.40 H new ATOM 0 HZ PHE A 71 -3.145 10.106 0.826 1.00 11.24 H new ATOM 1167 N ALA A 72 -0.498 3.554 5.556 1.00 50.34 N ATOM 1168 CA ALA A 72 -0.100 2.305 6.218 1.00 23.25 C ATOM 1169 C ALA A 72 -1.359 1.490 6.531 1.00 64.13 C ATOM 1170 O ALA A 72 -1.427 0.301 6.252 1.00 23.40 O ATOM 1171 CB ALA A 72 0.696 2.585 7.497 1.00 13.40 C ATOM 0 H ALA A 72 -0.229 4.398 6.062 1.00 50.34 H new ATOM 0 HA ALA A 72 0.549 1.737 5.552 1.00 23.25 H new ATOM 0 HB1 ALA A 72 0.977 1.641 7.965 1.00 13.40 H new ATOM 0 HB2 ALA A 72 1.595 3.149 7.250 1.00 13.40 H new ATOM 0 HB3 ALA A 72 0.083 3.164 8.188 1.00 13.40 H new ATOM 1177 N ALA A 73 -2.388 2.200 7.045 1.00 40.23 N ATOM 1178 CA ALA A 73 -3.709 1.626 7.344 1.00 3.14 C ATOM 1179 C ALA A 73 -4.408 1.083 6.071 1.00 73.34 C ATOM 1180 O ALA A 73 -5.135 0.095 6.150 1.00 0.12 O ATOM 1181 CB ALA A 73 -4.581 2.668 8.058 1.00 35.01 C ATOM 0 H ALA A 73 -2.320 3.194 7.264 1.00 40.23 H new ATOM 0 HA ALA A 73 -3.566 0.773 8.007 1.00 3.14 H new ATOM 0 HB1 ALA A 73 -5.558 2.237 8.277 1.00 35.01 H new ATOM 0 HB2 ALA A 73 -4.100 2.968 8.989 1.00 35.01 H new ATOM 0 HB3 ALA A 73 -4.705 3.540 7.416 1.00 35.01 H new ATOM 1187 N ILE A 74 -4.161 1.728 4.900 1.00 21.43 N ATOM 1188 CA ILE A 74 -4.644 1.240 3.580 1.00 43.41 C ATOM 1189 C ILE A 74 -4.027 -0.146 3.246 1.00 64.24 C ATOM 1190 O ILE A 74 -4.724 -1.062 2.785 1.00 52.41 O ATOM 1191 CB ILE A 74 -4.345 2.290 2.423 1.00 2.31 C ATOM 1192 CG1 ILE A 74 -5.160 3.601 2.650 1.00 24.15 C ATOM 1193 CG2 ILE A 74 -4.662 1.696 1.030 1.00 15.33 C ATOM 1194 CD1 ILE A 74 -4.967 4.674 1.580 1.00 10.30 C ATOM 0 H ILE A 74 -3.626 2.594 4.844 1.00 21.43 H new ATOM 0 HA ILE A 74 -5.726 1.126 3.646 1.00 43.41 H new ATOM 0 HB ILE A 74 -3.282 2.527 2.455 1.00 2.31 H new ATOM 0 HG12 ILE A 74 -6.219 3.348 2.703 1.00 24.15 H new ATOM 0 HG13 ILE A 74 -4.884 4.020 3.618 1.00 24.15 H new ATOM 0 HG21 ILE A 74 -4.447 2.438 0.261 1.00 15.33 H new ATOM 0 HG22 ILE A 74 -4.047 0.812 0.863 1.00 15.33 H new ATOM 0 HG23 ILE A 74 -5.715 1.419 0.983 1.00 15.33 H new ATOM 0 HD11 ILE A 74 -5.574 5.546 1.825 1.00 10.30 H new ATOM 0 HD12 ILE A 74 -3.917 4.963 1.539 1.00 10.30 H new ATOM 0 HD13 ILE A 74 -5.273 4.280 0.611 1.00 10.30 H new ATOM 1206 N LEU A 75 -2.720 -0.289 3.535 1.00 34.21 N ATOM 1207 CA LEU A 75 -1.961 -1.523 3.254 1.00 15.31 C ATOM 1208 C LEU A 75 -2.303 -2.657 4.246 1.00 61.31 C ATOM 1209 O LEU A 75 -2.368 -3.820 3.854 1.00 34.01 O ATOM 1210 CB LEU A 75 -0.445 -1.199 3.239 1.00 24.42 C ATOM 1211 CG LEU A 75 -0.002 -0.206 2.117 1.00 63.52 C ATOM 1212 CD1 LEU A 75 1.503 0.129 2.191 1.00 62.02 C ATOM 1213 CD2 LEU A 75 -0.381 -0.754 0.729 1.00 30.51 C ATOM 0 H LEU A 75 -2.161 0.446 3.969 1.00 34.21 H new ATOM 0 HA LEU A 75 -2.250 -1.895 2.271 1.00 15.31 H new ATOM 0 HB2 LEU A 75 -0.167 -0.781 4.206 1.00 24.42 H new ATOM 0 HB3 LEU A 75 0.111 -2.129 3.122 1.00 24.42 H new ATOM 0 HG LEU A 75 -0.539 0.728 2.280 1.00 63.52 H new ATOM 0 HD11 LEU A 75 1.761 0.822 1.391 1.00 62.02 H new ATOM 0 HD12 LEU A 75 1.727 0.587 3.154 1.00 62.02 H new ATOM 0 HD13 LEU A 75 2.085 -0.786 2.080 1.00 62.02 H new ATOM 0 HD21 LEU A 75 -0.064 -0.049 -0.039 1.00 30.51 H new ATOM 0 HD22 LEU A 75 0.114 -1.712 0.568 1.00 30.51 H new ATOM 0 HD23 LEU A 75 -1.461 -0.890 0.674 1.00 30.51 H new ATOM 1225 N ILE A 76 -2.556 -2.302 5.519 1.00 14.24 N ATOM 1226 CA ILE A 76 -3.001 -3.262 6.554 1.00 51.11 C ATOM 1227 C ILE A 76 -4.413 -3.776 6.214 1.00 1.21 C ATOM 1228 O ILE A 76 -4.704 -4.949 6.399 1.00 64.55 O ATOM 1229 CB ILE A 76 -2.952 -2.611 8.013 1.00 40.53 C ATOM 1230 CG1 ILE A 76 -1.524 -2.715 8.644 1.00 21.54 C ATOM 1231 CG2 ILE A 76 -3.992 -3.230 8.991 1.00 62.00 C ATOM 1232 CD1 ILE A 76 -0.391 -2.142 7.821 1.00 53.01 C ATOM 0 H ILE A 76 -2.459 -1.346 5.861 1.00 14.24 H new ATOM 0 HA ILE A 76 -2.315 -4.109 6.562 1.00 51.11 H new ATOM 0 HB ILE A 76 -3.209 -1.562 7.870 1.00 40.53 H new ATOM 0 HG12 ILE A 76 -1.537 -2.209 9.609 1.00 21.54 H new ATOM 0 HG13 ILE A 76 -1.310 -3.766 8.838 1.00 21.54 H new ATOM 0 HG21 ILE A 76 -3.909 -2.746 9.964 1.00 62.00 H new ATOM 0 HG22 ILE A 76 -4.997 -3.081 8.596 1.00 62.00 H new ATOM 0 HG23 ILE A 76 -3.800 -4.297 9.099 1.00 62.00 H new ATOM 0 HD11 ILE A 76 0.549 -2.270 8.357 1.00 53.01 H new ATOM 0 HD12 ILE A 76 -0.337 -2.662 6.864 1.00 53.01 H new ATOM 0 HD13 ILE A 76 -0.568 -1.081 7.648 1.00 53.01 H new ATOM 1244 N LYS A 77 -5.253 -2.874 5.671 1.00 51.24 N ATOM 1245 CA LYS A 77 -6.667 -3.156 5.349 1.00 2.12 C ATOM 1246 C LYS A 77 -6.791 -4.276 4.299 1.00 64.15 C ATOM 1247 O LYS A 77 -7.548 -5.239 4.476 1.00 3.13 O ATOM 1248 CB LYS A 77 -7.335 -1.849 4.852 1.00 64.45 C ATOM 1249 CG LYS A 77 -8.862 -1.913 4.665 1.00 42.22 C ATOM 1250 CD LYS A 77 -9.473 -0.516 4.391 1.00 61.24 C ATOM 1251 CE LYS A 77 -9.240 0.485 5.543 1.00 71.25 C ATOM 1252 NZ LYS A 77 -9.901 1.798 5.289 1.00 22.05 N ATOM 0 H LYS A 77 -4.968 -1.922 5.441 1.00 51.24 H new ATOM 0 HA LYS A 77 -7.177 -3.507 6.246 1.00 2.12 H new ATOM 0 HB2 LYS A 77 -7.107 -1.053 5.561 1.00 64.45 H new ATOM 0 HB3 LYS A 77 -6.882 -1.569 3.901 1.00 64.45 H new ATOM 0 HG2 LYS A 77 -9.098 -2.581 3.836 1.00 42.22 H new ATOM 0 HG3 LYS A 77 -9.319 -2.340 5.558 1.00 42.22 H new ATOM 0 HD2 LYS A 77 -9.043 -0.112 3.474 1.00 61.24 H new ATOM 0 HD3 LYS A 77 -10.544 -0.622 4.221 1.00 61.24 H new ATOM 0 HE2 LYS A 77 -9.621 0.062 6.473 1.00 71.25 H new ATOM 0 HE3 LYS A 77 -8.169 0.639 5.678 1.00 71.25 H new ATOM 0 HZ1 LYS A 77 -9.718 2.439 6.088 1.00 22.05 H new ATOM 0 HZ2 LYS A 77 -9.520 2.215 4.416 1.00 22.05 H new ATOM 0 HZ3 LYS A 77 -10.926 1.656 5.186 1.00 22.05 H new ATOM 1266 N VAL A 78 -6.002 -4.132 3.231 1.00 71.43 N ATOM 1267 CA VAL A 78 -5.976 -5.060 2.093 1.00 73.21 C ATOM 1268 C VAL A 78 -5.323 -6.410 2.473 1.00 32.44 C ATOM 1269 O VAL A 78 -5.830 -7.480 2.115 1.00 51.34 O ATOM 1270 CB VAL A 78 -5.235 -4.361 0.895 1.00 31.30 C ATOM 1271 CG1 VAL A 78 -4.951 -5.320 -0.279 1.00 51.32 C ATOM 1272 CG2 VAL A 78 -6.051 -3.130 0.422 1.00 12.32 C ATOM 0 H VAL A 78 -5.351 -3.354 3.129 1.00 71.43 H new ATOM 0 HA VAL A 78 -6.996 -5.297 1.792 1.00 73.21 H new ATOM 0 HB VAL A 78 -4.261 -4.035 1.260 1.00 31.30 H new ATOM 0 HG11 VAL A 78 -4.438 -4.779 -1.075 1.00 51.32 H new ATOM 0 HG12 VAL A 78 -4.322 -6.141 0.066 1.00 51.32 H new ATOM 0 HG13 VAL A 78 -5.892 -5.719 -0.659 1.00 51.32 H new ATOM 0 HG21 VAL A 78 -5.534 -2.648 -0.408 1.00 12.32 H new ATOM 0 HG22 VAL A 78 -7.040 -3.452 0.096 1.00 12.32 H new ATOM 0 HG23 VAL A 78 -6.153 -2.423 1.245 1.00 12.32 H new ATOM 1282 N TYR A 79 -4.214 -6.349 3.235 1.00 54.21 N ATOM 1283 CA TYR A 79 -3.448 -7.551 3.657 1.00 65.51 C ATOM 1284 C TYR A 79 -4.151 -8.323 4.796 1.00 41.24 C ATOM 1285 O TYR A 79 -3.854 -9.505 5.018 1.00 35.42 O ATOM 1286 CB TYR A 79 -1.996 -7.153 4.048 1.00 60.04 C ATOM 1287 CG TYR A 79 -1.062 -6.922 2.843 1.00 40.33 C ATOM 1288 CD1 TYR A 79 -1.324 -5.919 1.900 1.00 71.21 C ATOM 1289 CD2 TYR A 79 0.075 -7.716 2.643 1.00 73.22 C ATOM 1290 CE1 TYR A 79 -0.492 -5.717 0.814 1.00 3.10 C ATOM 1291 CE2 TYR A 79 0.904 -7.517 1.552 1.00 70.05 C ATOM 1292 CZ TYR A 79 0.618 -6.517 0.646 1.00 2.44 C ATOM 1293 OH TYR A 79 1.433 -6.334 -0.448 1.00 1.30 O ATOM 0 H TYR A 79 -3.820 -5.472 3.577 1.00 54.21 H new ATOM 0 HA TYR A 79 -3.404 -8.232 2.807 1.00 65.51 H new ATOM 0 HB2 TYR A 79 -2.029 -6.244 4.648 1.00 60.04 H new ATOM 0 HB3 TYR A 79 -1.573 -7.936 4.678 1.00 60.04 H new ATOM 0 HD1 TYR A 79 -2.194 -5.291 2.024 1.00 71.21 H new ATOM 0 HD2 TYR A 79 0.309 -8.497 3.352 1.00 73.22 H new ATOM 0 HE1 TYR A 79 -0.711 -4.936 0.101 1.00 3.10 H new ATOM 0 HE2 TYR A 79 1.772 -8.143 1.411 1.00 70.05 H new ATOM 0 HH TYR A 79 1.672 -5.387 -0.523 1.00 1.30 H new ATOM 1303 N ALA A 80 -5.084 -7.658 5.495 1.00 75.22 N ATOM 1304 CA ALA A 80 -5.916 -8.296 6.537 1.00 62.15 C ATOM 1305 C ALA A 80 -6.969 -9.216 5.901 1.00 34.54 C ATOM 1306 O ALA A 80 -7.399 -10.202 6.504 1.00 41.13 O ATOM 1307 CB ALA A 80 -6.592 -7.229 7.401 1.00 43.30 C ATOM 0 H ALA A 80 -5.285 -6.668 5.358 1.00 75.22 H new ATOM 0 HA ALA A 80 -5.270 -8.903 7.172 1.00 62.15 H new ATOM 0 HB1 ALA A 80 -7.202 -7.712 8.165 1.00 43.30 H new ATOM 0 HB2 ALA A 80 -5.831 -6.613 7.880 1.00 43.30 H new ATOM 0 HB3 ALA A 80 -7.225 -6.601 6.774 1.00 43.30 H new ATOM 1313 N GLU A 81 -7.388 -8.853 4.675 1.00 10.23 N ATOM 1314 CA GLU A 81 -8.318 -9.655 3.860 1.00 11.25 C ATOM 1315 C GLU A 81 -7.600 -10.900 3.301 1.00 14.44 C ATOM 1316 O GLU A 81 -8.200 -11.963 3.156 1.00 71.52 O ATOM 1317 CB GLU A 81 -8.891 -8.775 2.714 1.00 12.22 C ATOM 1318 CG GLU A 81 -9.616 -7.509 3.217 1.00 14.52 C ATOM 1319 CD GLU A 81 -10.170 -6.632 2.088 1.00 71.05 C ATOM 1320 OE1 GLU A 81 -9.433 -5.761 1.566 1.00 12.30 O ATOM 1321 OE2 GLU A 81 -11.349 -6.820 1.696 1.00 11.13 O ATOM 0 H GLU A 81 -7.089 -7.991 4.220 1.00 10.23 H new ATOM 0 HA GLU A 81 -9.145 -9.999 4.481 1.00 11.25 H new ATOM 0 HB2 GLU A 81 -8.078 -8.480 2.051 1.00 12.22 H new ATOM 0 HB3 GLU A 81 -9.585 -9.371 2.121 1.00 12.22 H new ATOM 0 HG2 GLU A 81 -10.436 -7.805 3.872 1.00 14.52 H new ATOM 0 HG3 GLU A 81 -8.925 -6.919 3.819 1.00 14.52 H new ATOM 1328 N LEU A 82 -6.295 -10.742 3.021 1.00 52.21 N ATOM 1329 CA LEU A 82 -5.439 -11.824 2.497 1.00 21.44 C ATOM 1330 C LEU A 82 -5.033 -12.805 3.612 1.00 62.45 C ATOM 1331 O LEU A 82 -4.754 -13.977 3.348 1.00 14.11 O ATOM 1332 CB LEU A 82 -4.182 -11.219 1.808 1.00 33.21 C ATOM 1333 CG LEU A 82 -4.470 -10.202 0.653 1.00 71.21 C ATOM 1334 CD1 LEU A 82 -3.171 -9.740 -0.040 1.00 74.11 C ATOM 1335 CD2 LEU A 82 -5.468 -10.790 -0.359 1.00 41.23 C ATOM 0 H LEU A 82 -5.802 -9.859 3.151 1.00 52.21 H new ATOM 0 HA LEU A 82 -6.010 -12.387 1.758 1.00 21.44 H new ATOM 0 HB2 LEU A 82 -3.579 -10.720 2.566 1.00 33.21 H new ATOM 0 HB3 LEU A 82 -3.580 -12.035 1.408 1.00 33.21 H new ATOM 0 HG LEU A 82 -4.925 -9.318 1.099 1.00 71.21 H new ATOM 0 HD11 LEU A 82 -3.414 -9.035 -0.835 1.00 74.11 H new ATOM 0 HD12 LEU A 82 -2.522 -9.255 0.689 1.00 74.11 H new ATOM 0 HD13 LEU A 82 -2.658 -10.603 -0.464 1.00 74.11 H new ATOM 0 HD21 LEU A 82 -5.652 -10.065 -1.152 1.00 41.23 H new ATOM 0 HD22 LEU A 82 -5.055 -11.702 -0.790 1.00 41.23 H new ATOM 0 HD23 LEU A 82 -6.406 -11.021 0.147 1.00 41.23 H new ATOM 1347 N GLY A 83 -5.007 -12.305 4.852 1.00 63.32 N ATOM 1348 CA GLY A 83 -4.718 -13.122 6.025 1.00 61.21 C ATOM 1349 C GLY A 83 -5.073 -12.366 7.289 1.00 64.33 C ATOM 1350 O GLY A 83 -4.613 -11.235 7.461 1.00 2.02 O ATOM 0 H GLY A 83 -5.186 -11.324 5.066 1.00 63.32 H new ATOM 0 HA2 GLY A 83 -5.284 -14.052 5.978 1.00 61.21 H new ATOM 0 HA3 GLY A 83 -3.662 -13.392 6.038 1.00 61.21 H new ATOM 1354 N TYR A 84 -5.901 -12.977 8.163 1.00 15.10 N ATOM 1355 CA TYR A 84 -6.440 -12.322 9.373 1.00 52.32 C ATOM 1356 C TYR A 84 -5.355 -12.288 10.478 1.00 44.43 C ATOM 1357 O TYR A 84 -5.434 -13.009 11.478 1.00 11.35 O ATOM 1358 CB TYR A 84 -7.715 -13.063 9.872 1.00 74.04 C ATOM 1359 CG TYR A 84 -8.905 -13.098 8.892 1.00 15.02 C ATOM 1360 CD1 TYR A 84 -8.789 -13.685 7.626 1.00 53.30 C ATOM 1361 CD2 TYR A 84 -10.153 -12.568 9.240 1.00 11.41 C ATOM 1362 CE1 TYR A 84 -9.855 -13.738 6.754 1.00 65.01 C ATOM 1363 CE2 TYR A 84 -11.226 -12.631 8.365 1.00 61.44 C ATOM 1364 CZ TYR A 84 -11.071 -13.215 7.126 1.00 22.30 C ATOM 1365 OH TYR A 84 -12.142 -13.287 6.259 1.00 42.13 O ATOM 0 H TYR A 84 -6.215 -13.941 8.049 1.00 15.10 H new ATOM 0 HA TYR A 84 -6.721 -11.298 9.128 1.00 52.32 H new ATOM 0 HB2 TYR A 84 -7.442 -14.089 10.117 1.00 74.04 H new ATOM 0 HB3 TYR A 84 -8.046 -12.592 10.797 1.00 74.04 H new ATOM 0 HD1 TYR A 84 -7.841 -14.106 7.326 1.00 53.30 H new ATOM 0 HD2 TYR A 84 -10.282 -12.102 10.206 1.00 11.41 H new ATOM 0 HE1 TYR A 84 -9.735 -14.190 5.780 1.00 65.01 H new ATOM 0 HE2 TYR A 84 -12.183 -12.223 8.654 1.00 61.44 H new ATOM 0 HH TYR A 84 -12.927 -12.873 6.674 1.00 42.13 H new ATOM 1375 N ASN A 85 -4.328 -11.462 10.250 1.00 64.50 N ATOM 1376 CA ASN A 85 -3.146 -11.324 11.124 1.00 21.44 C ATOM 1377 C ASN A 85 -2.785 -9.839 11.219 1.00 42.01 C ATOM 1378 O ASN A 85 -3.233 -9.027 10.396 1.00 41.54 O ATOM 1379 CB ASN A 85 -1.918 -12.100 10.547 1.00 70.30 C ATOM 1380 CG ASN A 85 -2.097 -13.620 10.440 1.00 61.12 C ATOM 1381 OD1 ASN A 85 -2.771 -14.251 11.256 1.00 30.44 O ATOM 1382 ND2 ASN A 85 -1.494 -14.215 9.422 1.00 41.12 N ATOM 0 H ASN A 85 -4.290 -10.853 9.433 1.00 64.50 H new ATOM 0 HA ASN A 85 -3.387 -11.738 12.103 1.00 21.44 H new ATOM 0 HB2 ASN A 85 -1.693 -11.706 9.556 1.00 70.30 H new ATOM 0 HB3 ASN A 85 -1.051 -11.896 11.176 1.00 70.30 H new ATOM 0 HD21 ASN A 85 -1.581 -15.224 9.297 1.00 41.12 H new ATOM 0 HD22 ASN A 85 -0.943 -13.665 8.763 1.00 41.12 H new ATOM 1389 N ASP A 86 -1.969 -9.490 12.219 1.00 73.44 N ATOM 1390 CA ASP A 86 -1.343 -8.155 12.301 1.00 12.43 C ATOM 1391 C ASP A 86 -0.261 -8.042 11.207 1.00 41.50 C ATOM 1392 O ASP A 86 0.385 -9.044 10.869 1.00 20.35 O ATOM 1393 CB ASP A 86 -0.733 -7.903 13.710 1.00 74.02 C ATOM 1394 CG ASP A 86 0.447 -8.829 14.057 1.00 1.22 C ATOM 1395 OD1 ASP A 86 0.205 -9.979 14.482 1.00 11.24 O ATOM 1396 OD2 ASP A 86 1.622 -8.405 13.916 1.00 52.35 O ATOM 0 H ASP A 86 -1.722 -10.112 12.989 1.00 73.44 H new ATOM 0 HA ASP A 86 -2.106 -7.393 12.140 1.00 12.43 H new ATOM 0 HB2 ASP A 86 -0.398 -6.867 13.770 1.00 74.02 H new ATOM 0 HB3 ASP A 86 -1.513 -8.030 14.460 1.00 74.02 H new ATOM 1401 N ILE A 87 -0.087 -6.837 10.636 1.00 60.52 N ATOM 1402 CA ILE A 87 0.847 -6.607 9.511 1.00 73.30 C ATOM 1403 C ILE A 87 2.002 -5.677 9.973 1.00 70.33 C ATOM 1404 O ILE A 87 1.793 -4.799 10.819 1.00 50.02 O ATOM 1405 CB ILE A 87 0.100 -6.002 8.254 1.00 62.24 C ATOM 1406 CG1 ILE A 87 -1.265 -6.729 7.973 1.00 61.13 C ATOM 1407 CG2 ILE A 87 0.993 -6.051 6.991 1.00 0.12 C ATOM 1408 CD1 ILE A 87 -1.164 -8.199 7.584 1.00 63.44 C ATOM 0 H ILE A 87 -0.584 -5.998 10.936 1.00 60.52 H new ATOM 0 HA ILE A 87 1.265 -7.566 9.205 1.00 73.30 H new ATOM 0 HB ILE A 87 -0.115 -4.960 8.492 1.00 62.24 H new ATOM 0 HG12 ILE A 87 -1.888 -6.650 8.864 1.00 61.13 H new ATOM 0 HG13 ILE A 87 -1.782 -6.196 7.175 1.00 61.13 H new ATOM 0 HG21 ILE A 87 0.451 -5.628 6.145 1.00 0.12 H new ATOM 0 HG22 ILE A 87 1.901 -5.474 7.165 1.00 0.12 H new ATOM 0 HG23 ILE A 87 1.257 -7.086 6.772 1.00 0.12 H new ATOM 0 HD11 ILE A 87 -2.163 -8.600 7.414 1.00 63.44 H new ATOM 0 HD12 ILE A 87 -0.574 -8.294 6.672 1.00 63.44 H new ATOM 0 HD13 ILE A 87 -0.682 -8.756 8.388 1.00 63.44 H new ATOM 1420 N ASN A 88 3.217 -5.875 9.405 1.00 74.22 N ATOM 1421 CA ASN A 88 4.444 -5.166 9.835 1.00 45.24 C ATOM 1422 C ASN A 88 4.578 -3.846 9.064 1.00 31.24 C ATOM 1423 O ASN A 88 4.608 -3.848 7.839 1.00 51.01 O ATOM 1424 CB ASN A 88 5.683 -6.075 9.577 1.00 61.12 C ATOM 1425 CG ASN A 88 7.016 -5.461 10.025 1.00 12.22 C ATOM 1426 OD1 ASN A 88 7.079 -4.688 10.984 1.00 41.14 O ATOM 1427 ND2 ASN A 88 8.089 -5.801 9.338 1.00 64.40 N ATOM 0 H ASN A 88 3.372 -6.529 8.638 1.00 74.22 H new ATOM 0 HA ASN A 88 4.384 -4.942 10.900 1.00 45.24 H new ATOM 0 HB2 ASN A 88 5.539 -7.022 10.096 1.00 61.12 H new ATOM 0 HB3 ASN A 88 5.739 -6.300 8.512 1.00 61.12 H new ATOM 0 HD21 ASN A 88 9.001 -5.423 9.595 1.00 64.40 H new ATOM 0 HD22 ASN A 88 8.007 -6.443 8.549 1.00 64.40 H new ATOM 1434 N VAL A 89 4.627 -2.718 9.793 1.00 34.31 N ATOM 1435 CA VAL A 89 4.762 -1.371 9.190 1.00 1.35 C ATOM 1436 C VAL A 89 6.171 -0.811 9.451 1.00 63.42 C ATOM 1437 O VAL A 89 6.650 -0.849 10.590 1.00 31.51 O ATOM 1438 CB VAL A 89 3.703 -0.353 9.772 1.00 24.44 C ATOM 1439 CG1 VAL A 89 3.693 0.959 8.955 1.00 21.42 C ATOM 1440 CG2 VAL A 89 2.295 -0.977 9.831 1.00 64.42 C ATOM 0 H VAL A 89 4.575 -2.708 10.812 1.00 34.31 H new ATOM 0 HA VAL A 89 4.587 -1.484 8.120 1.00 1.35 H new ATOM 0 HB VAL A 89 4.000 -0.115 10.793 1.00 24.44 H new ATOM 0 HG11 VAL A 89 2.956 1.644 9.375 1.00 21.42 H new ATOM 0 HG12 VAL A 89 4.680 1.420 8.994 1.00 21.42 H new ATOM 0 HG13 VAL A 89 3.436 0.740 7.919 1.00 21.42 H new ATOM 0 HG21 VAL A 89 1.591 -0.250 10.236 1.00 64.42 H new ATOM 0 HG22 VAL A 89 1.982 -1.264 8.827 1.00 64.42 H new ATOM 0 HG23 VAL A 89 2.314 -1.859 10.471 1.00 64.42 H new ATOM 1450 N THR A 90 6.822 -0.302 8.396 1.00 52.32 N ATOM 1451 CA THR A 90 8.071 0.462 8.506 1.00 4.34 C ATOM 1452 C THR A 90 7.828 1.873 7.938 1.00 51.41 C ATOM 1453 O THR A 90 7.666 2.037 6.724 1.00 11.33 O ATOM 1454 CB THR A 90 9.238 -0.243 7.724 1.00 1.23 C ATOM 1455 OG1 THR A 90 9.402 -1.595 8.193 1.00 30.05 O ATOM 1456 CG2 THR A 90 10.574 0.511 7.865 1.00 74.21 C ATOM 0 H THR A 90 6.494 -0.410 7.436 1.00 52.32 H new ATOM 0 HA THR A 90 8.367 0.521 9.553 1.00 4.34 H new ATOM 0 HB THR A 90 8.963 -0.242 6.669 1.00 1.23 H new ATOM 0 HG1 THR A 90 10.130 -2.027 7.699 1.00 30.05 H new ATOM 0 HG21 THR A 90 11.349 -0.015 7.307 1.00 74.21 H new ATOM 0 HG22 THR A 90 10.465 1.521 7.470 1.00 74.21 H new ATOM 0 HG23 THR A 90 10.854 0.561 8.917 1.00 74.21 H new ATOM 1464 N TRP A 91 7.766 2.882 8.821 1.00 42.35 N ATOM 1465 CA TRP A 91 7.687 4.294 8.412 1.00 61.41 C ATOM 1466 C TRP A 91 9.103 4.784 8.069 1.00 12.41 C ATOM 1467 O TRP A 91 9.910 5.056 8.966 1.00 72.35 O ATOM 1468 CB TRP A 91 7.043 5.161 9.534 1.00 42.11 C ATOM 1469 CG TRP A 91 5.577 4.868 9.762 1.00 21.34 C ATOM 1470 CD1 TRP A 91 4.533 5.319 9.009 1.00 64.23 C ATOM 1471 CD2 TRP A 91 4.996 4.072 10.808 1.00 32.11 C ATOM 1472 NE1 TRP A 91 3.349 4.850 9.511 1.00 12.35 N ATOM 1473 CE2 TRP A 91 3.600 4.089 10.618 1.00 44.14 C ATOM 1474 CE3 TRP A 91 5.518 3.345 11.881 1.00 71.44 C ATOM 1475 CZ2 TRP A 91 2.723 3.416 11.460 1.00 32.20 C ATOM 1476 CZ3 TRP A 91 4.646 2.674 12.717 1.00 52.24 C ATOM 1477 CH2 TRP A 91 3.262 2.711 12.503 1.00 14.30 C ATOM 0 H TRP A 91 7.769 2.744 9.832 1.00 42.35 H new ATOM 0 HA TRP A 91 7.050 4.389 7.533 1.00 61.41 H new ATOM 0 HB2 TRP A 91 7.586 4.997 10.465 1.00 42.11 H new ATOM 0 HB3 TRP A 91 7.159 6.214 9.279 1.00 42.11 H new ATOM 0 HD1 TRP A 91 4.627 5.955 8.141 1.00 64.23 H new ATOM 0 HE1 TRP A 91 2.426 5.039 9.121 1.00 12.35 H new ATOM 0 HE3 TRP A 91 6.583 3.308 12.054 1.00 71.44 H new ATOM 0 HZ2 TRP A 91 1.656 3.448 11.298 1.00 32.20 H new ATOM 0 HZ3 TRP A 91 5.039 2.111 13.551 1.00 52.24 H new ATOM 0 HH2 TRP A 91 2.608 2.173 13.173 1.00 14.30 H new ATOM 1488 N ASP A 92 9.414 4.828 6.761 1.00 40.23 N ATOM 1489 CA ASP A 92 10.724 5.276 6.257 1.00 23.10 C ATOM 1490 C ASP A 92 10.856 6.808 6.378 1.00 35.31 C ATOM 1491 O ASP A 92 11.897 7.318 6.808 1.00 31.43 O ATOM 1492 CB ASP A 92 10.921 4.803 4.792 1.00 74.41 C ATOM 1493 CG ASP A 92 12.196 5.375 4.138 1.00 4.43 C ATOM 1494 OD1 ASP A 92 13.306 4.892 4.455 1.00 74.53 O ATOM 1495 OD2 ASP A 92 12.096 6.327 3.325 1.00 34.11 O ATOM 0 H ASP A 92 8.764 4.554 6.024 1.00 40.23 H new ATOM 0 HA ASP A 92 11.510 4.829 6.865 1.00 23.10 H new ATOM 0 HB2 ASP A 92 10.966 3.714 4.771 1.00 74.41 H new ATOM 0 HB3 ASP A 92 10.053 5.098 4.202 1.00 74.41 H new ATOM 1500 N GLY A 93 9.788 7.526 5.980 1.00 34.43 N ATOM 1501 CA GLY A 93 9.726 8.990 6.099 1.00 2.32 C ATOM 1502 C GLY A 93 8.987 9.617 4.928 1.00 22.11 C ATOM 1503 O GLY A 93 7.785 9.899 5.025 1.00 61.20 O ATOM 0 H GLY A 93 8.952 7.109 5.571 1.00 34.43 H new ATOM 0 HA2 GLY A 93 9.227 9.259 7.030 1.00 2.32 H new ATOM 0 HA3 GLY A 93 10.737 9.394 6.150 1.00 2.32 H new ATOM 1507 N ASP A 94 9.709 9.801 3.802 1.00 2.42 N ATOM 1508 CA ASP A 94 9.131 10.340 2.543 1.00 32.42 C ATOM 1509 C ASP A 94 8.261 9.273 1.832 1.00 52.12 C ATOM 1510 O ASP A 94 7.589 9.569 0.838 1.00 43.33 O ATOM 1511 CB ASP A 94 10.254 10.838 1.580 1.00 63.51 C ATOM 1512 CG ASP A 94 11.128 9.695 1.024 1.00 25.13 C ATOM 1513 OD1 ASP A 94 12.077 9.286 1.712 1.00 70.41 O ATOM 1514 OD2 ASP A 94 10.859 9.191 -0.093 1.00 1.33 O ATOM 0 H ASP A 94 10.703 9.583 3.735 1.00 2.42 H new ATOM 0 HA ASP A 94 8.498 11.187 2.808 1.00 32.42 H new ATOM 0 HB2 ASP A 94 9.799 11.376 0.749 1.00 63.51 H new ATOM 0 HB3 ASP A 94 10.889 11.548 2.109 1.00 63.51 H new ATOM 1519 N THR A 95 8.345 8.025 2.320 1.00 53.22 N ATOM 1520 CA THR A 95 7.577 6.878 1.831 1.00 73.22 C ATOM 1521 C THR A 95 7.250 5.963 3.032 1.00 23.31 C ATOM 1522 O THR A 95 8.054 5.867 3.965 1.00 35.31 O ATOM 1523 CB THR A 95 8.409 6.106 0.744 1.00 44.34 C ATOM 1524 OG1 THR A 95 8.766 7.005 -0.319 1.00 41.32 O ATOM 1525 CG2 THR A 95 7.660 4.925 0.133 1.00 51.10 C ATOM 0 H THR A 95 8.970 7.783 3.089 1.00 53.22 H new ATOM 0 HA THR A 95 6.648 7.209 1.368 1.00 73.22 H new ATOM 0 HB THR A 95 9.289 5.715 1.255 1.00 44.34 H new ATOM 0 HG1 THR A 95 9.473 7.610 -0.012 1.00 41.32 H new ATOM 0 HG21 THR A 95 8.292 4.438 -0.609 1.00 51.10 H new ATOM 0 HG22 THR A 95 7.404 4.212 0.917 1.00 51.10 H new ATOM 0 HG23 THR A 95 6.748 5.281 -0.345 1.00 51.10 H new ATOM 1533 N VAL A 96 6.061 5.338 3.043 1.00 72.51 N ATOM 1534 CA VAL A 96 5.742 4.254 4.000 1.00 0.22 C ATOM 1535 C VAL A 96 5.971 2.904 3.298 1.00 53.24 C ATOM 1536 O VAL A 96 5.655 2.758 2.121 1.00 42.35 O ATOM 1537 CB VAL A 96 4.273 4.355 4.573 1.00 55.21 C ATOM 1538 CG1 VAL A 96 3.189 4.320 3.465 1.00 60.23 C ATOM 1539 CG2 VAL A 96 4.014 3.274 5.658 1.00 33.24 C ATOM 0 H VAL A 96 5.301 5.562 2.401 1.00 72.51 H new ATOM 0 HA VAL A 96 6.401 4.349 4.863 1.00 0.22 H new ATOM 0 HB VAL A 96 4.193 5.333 5.047 1.00 55.21 H new ATOM 0 HG11 VAL A 96 2.201 4.393 3.920 1.00 60.23 H new ATOM 0 HG12 VAL A 96 3.338 5.158 2.784 1.00 60.23 H new ATOM 0 HG13 VAL A 96 3.265 3.384 2.911 1.00 60.23 H new ATOM 0 HG21 VAL A 96 2.995 3.371 6.032 1.00 33.24 H new ATOM 0 HG22 VAL A 96 4.149 2.283 5.224 1.00 33.24 H new ATOM 0 HG23 VAL A 96 4.716 3.409 6.481 1.00 33.24 H new ATOM 1549 N THR A 97 6.544 1.936 4.014 1.00 62.21 N ATOM 1550 CA THR A 97 6.888 0.619 3.461 1.00 22.05 C ATOM 1551 C THR A 97 6.323 -0.474 4.390 1.00 4.34 C ATOM 1552 O THR A 97 6.857 -0.716 5.470 1.00 44.51 O ATOM 1553 CB THR A 97 8.450 0.491 3.312 1.00 10.13 C ATOM 1554 OG1 THR A 97 8.957 1.644 2.601 1.00 74.21 O ATOM 1555 CG2 THR A 97 8.859 -0.787 2.555 1.00 34.33 C ATOM 0 H THR A 97 6.785 2.041 5.000 1.00 62.21 H new ATOM 0 HA THR A 97 6.449 0.500 2.470 1.00 22.05 H new ATOM 0 HB THR A 97 8.875 0.436 4.314 1.00 10.13 H new ATOM 0 HG1 THR A 97 8.611 1.641 1.684 1.00 74.21 H new ATOM 0 HG21 THR A 97 9.945 -0.832 2.477 1.00 34.33 H new ATOM 0 HG22 THR A 97 8.498 -1.662 3.096 1.00 34.33 H new ATOM 0 HG23 THR A 97 8.424 -0.773 1.556 1.00 34.33 H new ATOM 1563 N VAL A 98 5.217 -1.113 3.969 1.00 60.33 N ATOM 1564 CA VAL A 98 4.537 -2.165 4.757 1.00 23.00 C ATOM 1565 C VAL A 98 4.847 -3.548 4.161 1.00 10.40 C ATOM 1566 O VAL A 98 4.773 -3.736 2.945 1.00 50.12 O ATOM 1567 CB VAL A 98 2.980 -1.915 4.812 1.00 74.14 C ATOM 1568 CG1 VAL A 98 2.232 -3.091 5.468 1.00 54.33 C ATOM 1569 CG2 VAL A 98 2.666 -0.593 5.558 1.00 73.43 C ATOM 0 H VAL A 98 4.767 -0.917 3.075 1.00 60.33 H new ATOM 0 HA VAL A 98 4.913 -2.130 5.779 1.00 23.00 H new ATOM 0 HB VAL A 98 2.628 -1.834 3.784 1.00 74.14 H new ATOM 0 HG11 VAL A 98 1.163 -2.878 5.486 1.00 54.33 H new ATOM 0 HG12 VAL A 98 2.411 -4.001 4.895 1.00 54.33 H new ATOM 0 HG13 VAL A 98 2.592 -3.227 6.488 1.00 54.33 H new ATOM 0 HG21 VAL A 98 1.587 -0.438 5.586 1.00 73.43 H new ATOM 0 HG22 VAL A 98 3.051 -0.650 6.576 1.00 73.43 H new ATOM 0 HG23 VAL A 98 3.139 0.240 5.037 1.00 73.43 H new ATOM 1579 N GLU A 99 5.169 -4.505 5.040 1.00 4.41 N ATOM 1580 CA GLU A 99 5.602 -5.856 4.673 1.00 44.02 C ATOM 1581 C GLU A 99 4.581 -6.865 5.244 1.00 3.43 C ATOM 1582 O GLU A 99 4.113 -6.697 6.385 1.00 15.42 O ATOM 1583 CB GLU A 99 7.038 -6.069 5.250 1.00 71.21 C ATOM 1584 CG GLU A 99 7.886 -7.197 4.610 1.00 63.03 C ATOM 1585 CD GLU A 99 7.460 -8.619 4.998 1.00 34.41 C ATOM 1586 OE1 GLU A 99 7.828 -9.079 6.104 1.00 12.21 O ATOM 1587 OE2 GLU A 99 6.769 -9.281 4.198 1.00 53.20 O ATOM 0 H GLU A 99 5.134 -4.357 6.049 1.00 4.41 H new ATOM 0 HA GLU A 99 5.643 -6.001 3.593 1.00 44.02 H new ATOM 0 HB2 GLU A 99 7.587 -5.133 5.150 1.00 71.21 H new ATOM 0 HB3 GLU A 99 6.949 -6.274 6.317 1.00 71.21 H new ATOM 0 HG2 GLU A 99 7.835 -7.100 3.525 1.00 63.03 H new ATOM 0 HG3 GLU A 99 8.929 -7.055 4.894 1.00 63.03 H new ATOM 1594 N GLY A 100 4.260 -7.904 4.441 1.00 14.02 N ATOM 1595 CA GLY A 100 3.296 -8.940 4.822 1.00 72.14 C ATOM 1596 C GLY A 100 3.767 -9.794 6.008 1.00 71.13 C ATOM 1597 O GLY A 100 4.497 -10.780 5.822 1.00 72.23 O ATOM 0 H GLY A 100 4.665 -8.041 3.515 1.00 14.02 H new ATOM 0 HA2 GLY A 100 2.346 -8.469 5.076 1.00 72.14 H new ATOM 0 HA3 GLY A 100 3.111 -9.589 3.966 1.00 72.14 H new ATOM 1601 N GLN A 101 3.350 -9.400 7.222 1.00 40.40 N ATOM 1602 CA GLN A 101 3.715 -10.086 8.473 1.00 32.24 C ATOM 1603 C GLN A 101 2.926 -11.401 8.611 1.00 51.24 C ATOM 1604 O GLN A 101 1.709 -11.397 8.835 1.00 20.45 O ATOM 1605 CB GLN A 101 3.416 -9.151 9.674 1.00 22.53 C ATOM 1606 CG GLN A 101 3.629 -9.743 11.080 1.00 72.34 C ATOM 1607 CD GLN A 101 5.090 -10.029 11.407 1.00 33.20 C ATOM 1608 OE1 GLN A 101 5.598 -11.113 11.135 1.00 14.23 O ATOM 1609 NE2 GLN A 101 5.783 -9.053 11.986 1.00 53.41 N ATOM 0 H GLN A 101 2.746 -8.591 7.364 1.00 40.40 H new ATOM 0 HA GLN A 101 4.778 -10.325 8.457 1.00 32.24 H new ATOM 0 HB2 GLN A 101 4.043 -8.264 9.579 1.00 22.53 H new ATOM 0 HB3 GLN A 101 2.381 -8.819 9.598 1.00 22.53 H new ATOM 0 HG2 GLN A 101 3.228 -9.051 11.821 1.00 72.34 H new ATOM 0 HG3 GLN A 101 3.058 -10.668 11.166 1.00 72.34 H new ATOM 0 HE21 GLN A 101 5.331 -8.164 12.199 1.00 53.41 H new ATOM 0 HE22 GLN A 101 6.766 -9.194 12.217 1.00 53.41 H new ATOM 1618 N LEU A 102 3.635 -12.520 8.447 1.00 15.50 N ATOM 1619 CA LEU A 102 3.107 -13.865 8.722 1.00 25.12 C ATOM 1620 C LEU A 102 3.620 -14.279 10.107 1.00 43.44 C ATOM 1621 O LEU A 102 4.835 -14.380 10.309 1.00 53.51 O ATOM 1622 CB LEU A 102 3.569 -14.859 7.599 1.00 75.20 C ATOM 1623 CG LEU A 102 2.884 -16.289 7.544 1.00 62.10 C ATOM 1624 CD1 LEU A 102 3.391 -17.260 8.648 1.00 71.14 C ATOM 1625 CD2 LEU A 102 1.334 -16.173 7.578 1.00 14.15 C ATOM 0 H LEU A 102 4.600 -12.522 8.117 1.00 15.50 H new ATOM 0 HA LEU A 102 2.017 -13.877 8.722 1.00 25.12 H new ATOM 0 HB2 LEU A 102 3.408 -14.374 6.636 1.00 75.20 H new ATOM 0 HB3 LEU A 102 4.644 -15.007 7.705 1.00 75.20 H new ATOM 0 HG LEU A 102 3.181 -16.726 6.591 1.00 62.10 H new ATOM 0 HD11 LEU A 102 2.881 -18.219 8.552 1.00 71.14 H new ATOM 0 HD12 LEU A 102 4.465 -17.408 8.537 1.00 71.14 H new ATOM 0 HD13 LEU A 102 3.182 -16.835 9.630 1.00 71.14 H new ATOM 0 HD21 LEU A 102 0.894 -17.169 7.539 1.00 14.15 H new ATOM 0 HD22 LEU A 102 1.026 -15.676 8.498 1.00 14.15 H new ATOM 0 HD23 LEU A 102 0.994 -15.592 6.721 1.00 14.15 H new ATOM 1637 N GLU A 103 2.701 -14.459 11.068 1.00 33.34 N ATOM 1638 CA GLU A 103 3.019 -15.059 12.370 1.00 22.23 C ATOM 1639 C GLU A 103 2.658 -16.554 12.325 1.00 51.51 C ATOM 1640 O GLU A 103 1.541 -16.917 11.927 1.00 3.11 O ATOM 1641 CB GLU A 103 2.262 -14.340 13.521 1.00 44.03 C ATOM 1642 CG GLU A 103 2.549 -14.905 14.940 1.00 10.54 C ATOM 1643 CD GLU A 103 4.049 -14.921 15.325 1.00 51.24 C ATOM 1644 OE1 GLU A 103 4.563 -13.879 15.795 1.00 51.41 O ATOM 1645 OE2 GLU A 103 4.720 -15.974 15.167 1.00 22.34 O ATOM 0 H GLU A 103 1.722 -14.194 10.964 1.00 33.34 H new ATOM 0 HA GLU A 103 4.085 -14.945 12.569 1.00 22.23 H new ATOM 0 HB2 GLU A 103 2.526 -13.282 13.506 1.00 44.03 H new ATOM 0 HB3 GLU A 103 1.191 -14.404 13.329 1.00 44.03 H new ATOM 0 HG2 GLU A 103 2.004 -14.310 15.673 1.00 10.54 H new ATOM 0 HG3 GLU A 103 2.159 -15.921 15.000 1.00 10.54 H new ATOM 1652 N GLY A 104 3.616 -17.403 12.719 1.00 41.52 N ATOM 1653 CA GLY A 104 3.422 -18.853 12.728 1.00 54.33 C ATOM 1654 C GLY A 104 4.705 -19.633 12.991 1.00 71.22 C ATOM 1655 O GLY A 104 4.795 -20.813 12.620 1.00 1.22 O ATOM 0 H GLY A 104 4.538 -17.105 13.037 1.00 41.52 H new ATOM 0 HA2 GLY A 104 2.687 -19.109 13.491 1.00 54.33 H new ATOM 0 HA3 GLY A 104 3.007 -19.163 11.769 1.00 54.33 H new ATOM 1659 N VAL A 105 5.704 -18.996 13.647 1.00 73.40 N ATOM 1660 CA VAL A 105 6.948 -19.677 14.063 1.00 72.15 C ATOM 1661 C VAL A 105 6.766 -20.280 15.474 1.00 14.02 C ATOM 1662 O VAL A 105 7.399 -19.871 16.456 1.00 2.40 O ATOM 1663 CB VAL A 105 8.218 -18.735 13.965 1.00 44.01 C ATOM 1664 CG1 VAL A 105 8.655 -18.541 12.488 1.00 71.50 C ATOM 1665 CG2 VAL A 105 7.991 -17.365 14.666 1.00 0.44 C ATOM 0 H VAL A 105 5.670 -18.008 13.899 1.00 73.40 H new ATOM 0 HA VAL A 105 7.141 -20.492 13.365 1.00 72.15 H new ATOM 0 HB VAL A 105 9.027 -19.234 14.498 1.00 44.01 H new ATOM 0 HG11 VAL A 105 9.529 -17.890 12.450 1.00 71.50 H new ATOM 0 HG12 VAL A 105 8.904 -19.509 12.052 1.00 71.50 H new ATOM 0 HG13 VAL A 105 7.840 -18.088 11.924 1.00 71.50 H new ATOM 0 HG21 VAL A 105 8.889 -16.755 14.572 1.00 0.44 H new ATOM 0 HG22 VAL A 105 7.152 -16.851 14.197 1.00 0.44 H new ATOM 0 HG23 VAL A 105 7.772 -17.528 15.721 1.00 0.44 H new ATOM 1675 N ASP A 106 5.858 -21.262 15.544 1.00 21.00 N ATOM 1676 CA ASP A 106 5.464 -21.915 16.787 1.00 3.22 C ATOM 1677 C ASP A 106 6.456 -23.061 17.095 1.00 31.15 C ATOM 1678 O ASP A 106 6.444 -24.083 16.372 1.00 62.41 O ATOM 1679 CB ASP A 106 4.011 -22.432 16.641 1.00 13.02 C ATOM 1680 CG ASP A 106 3.471 -23.090 17.920 1.00 10.20 C ATOM 1681 OD1 ASP A 106 3.168 -22.356 18.886 1.00 34.43 O ATOM 1682 OD2 ASP A 106 3.338 -24.334 17.964 1.00 42.45 O ATOM 1683 OXT ASP A 106 7.272 -22.932 18.026 1.00 38.18 O ATOM 0 H ASP A 106 5.373 -21.626 14.724 1.00 21.00 H new ATOM 0 HA ASP A 106 5.493 -21.215 17.622 1.00 3.22 H new ATOM 0 HB2 ASP A 106 3.362 -21.600 16.366 1.00 13.02 H new ATOM 0 HB3 ASP A 106 3.969 -23.152 15.824 1.00 13.02 H new TER 1688 ASP A 106