USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 689 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 27 THR OG1 : rot -78:sc= 0.936 USER MOD Set 1.2: A 50 SER OG : rot 100:sc= 0.093 USER MOD Set 1.3: A 51 THR OG1 : rot 65:sc= 0.371 USER MOD Set 2.1: A 6 THR OG1 : rot 120:sc= -0.197 USER MOD Set 2.2: A 41 ASN : amide:sc= -2.91! C(o=-3.1!,f=-3.9!) USER MOD Set 3.1: A 12 SER OG : rot 149:sc= 0.0694 USER MOD Set 3.2: A 14 THR OG1 : rot -82:sc=-0.00301 USER MOD Set 4.1: A 9 ASN : amide:sc= 0.807 K(o=0.16,f=1.3) USER MOD Set 4.2: A 71 ASN : amide:sc= -0.647 K(o=0.16,f=1.3) USER MOD Set 5.1: A 7 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0108) USER MOD Set 5.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.00055) USER MOD Single : A 1 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-0.12) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.441 X(o=-0.44,f=-0.069) USER MOD Single : A 4 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.25) USER MOD Single : A 5 HIS : no HD1:sc=-0.000251 X(o=-0.00025,f=-0.11) USER MOD Single : A -2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET N :NH3+ 151:sc= 0.568 (180deg=0.206) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.132 K(o=-0.13,f=-2.4!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0249 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc=-0.00875 K(o=-0.0087,f=-1.6) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 36 THR OG1 : rot 126:sc= 1.91 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0077 K(o=-0.0077,f=-1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 74:sc= 0.288 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.412 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.044 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc=0.000532 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -2 -16.838 -23.526 2.864 1.00 54.25 N ATOM 2 CA MET A -2 -15.937 -23.073 3.918 1.00 24.12 C ATOM 3 C MET A -2 -16.027 -21.561 4.097 1.00 52.04 C ATOM 4 O MET A -2 -16.255 -20.825 3.138 1.00 72.11 O ATOM 5 CB MET A -2 -14.496 -23.475 3.594 1.00 25.32 C ATOM 6 CG MET A -2 -14.200 -24.942 3.859 1.00 3.42 C ATOM 7 SD MET A -2 -14.655 -26.003 2.474 1.00 45.21 S ATOM 8 CE MET A -2 -13.756 -27.497 2.884 1.00 34.12 C ATOM 0 H1 MET A -2 -16.451 -24.383 2.421 1.00 54.25 H new ATOM 0 H2 MET A -2 -17.771 -23.738 3.272 1.00 54.25 H new ATOM 0 H3 MET A -2 -16.936 -22.780 2.146 1.00 54.25 H new ATOM 0 HA MET A -2 -16.239 -23.550 4.850 1.00 24.12 H new ATOM 0 HB2 MET A -2 -14.293 -23.256 2.546 1.00 25.32 H new ATOM 0 HB3 MET A -2 -13.815 -22.863 4.185 1.00 25.32 H new ATOM 0 HG2 MET A -2 -13.137 -25.062 4.070 1.00 3.42 H new ATOM 0 HG3 MET A -2 -14.740 -25.263 4.750 1.00 3.42 H new ATOM 0 HE1 MET A -2 -13.936 -28.252 2.119 1.00 34.12 H new ATOM 0 HE2 MET A -2 -12.689 -27.278 2.933 1.00 34.12 H new ATOM 0 HE3 MET A -2 -14.094 -27.872 3.850 1.00 34.12 H new ATOM 18 N GLY A -1 -15.847 -21.104 5.332 1.00 1.43 N ATOM 19 CA GLY A -1 -15.912 -19.683 5.615 1.00 13.04 C ATOM 20 C GLY A -1 -15.376 -19.338 6.990 1.00 33.14 C ATOM 21 O GLY A -1 -14.168 -19.392 7.226 1.00 21.25 O ATOM 0 H GLY A -1 -15.657 -21.694 6.142 1.00 1.43 H new ATOM 0 HA2 GLY A -1 -15.343 -19.140 4.860 1.00 13.04 H new ATOM 0 HA3 GLY A -1 -16.946 -19.348 5.537 1.00 13.04 H new ATOM 25 N HIS A 0 -16.275 -18.984 7.903 1.00 34.31 N ATOM 26 CA HIS A 0 -15.886 -18.629 9.263 1.00 13.52 C ATOM 27 C HIS A 0 -14.874 -17.487 9.258 1.00 25.41 C ATOM 28 O HIS A 0 -13.825 -17.570 9.899 1.00 53.23 O ATOM 29 CB HIS A 0 -15.298 -19.843 9.981 1.00 25.24 C ATOM 30 CG HIS A 0 -16.116 -21.089 9.820 1.00 1.03 C ATOM 31 ND1 HIS A 0 -15.740 -22.136 9.007 1.00 45.34 N ATOM 32 CD2 HIS A 0 -17.296 -21.451 10.375 1.00 43.03 C ATOM 33 CE1 HIS A 0 -16.654 -23.088 9.067 1.00 10.13 C ATOM 34 NE2 HIS A 0 -17.609 -22.696 9.891 1.00 75.12 N ATOM 0 H HIS A 0 -17.278 -18.935 7.725 1.00 34.31 H new ATOM 0 HA HIS A 0 -16.778 -18.298 9.795 1.00 13.52 H new ATOM 0 HB2 HIS A 0 -14.293 -20.027 9.602 1.00 25.24 H new ATOM 0 HB3 HIS A 0 -15.202 -19.616 11.043 1.00 25.24 H new ATOM 0 HD2 HIS A 0 -17.882 -20.868 11.070 1.00 43.03 H new ATOM 0 HE1 HIS A 0 -16.625 -24.027 8.533 1.00 10.13 H new ATOM 0 HE2 HIS A 0 -18.444 -23.232 10.129 1.00 75.12 H new ATOM 42 N HIS A 1 -15.194 -16.423 8.529 1.00 21.22 N ATOM 43 CA HIS A 1 -14.312 -15.263 8.441 1.00 52.03 C ATOM 44 C HIS A 1 -15.036 -13.995 8.883 1.00 62.11 C ATOM 45 O HIS A 1 -14.834 -12.922 8.312 1.00 54.41 O ATOM 46 CB HIS A 1 -13.795 -15.098 7.012 1.00 31.50 C ATOM 47 CG HIS A 1 -14.880 -15.078 5.980 1.00 2.14 C ATOM 48 ND1 HIS A 1 -14.673 -15.431 4.663 1.00 14.01 N ATOM 49 CD2 HIS A 1 -16.189 -14.746 6.078 1.00 4.13 C ATOM 50 CE1 HIS A 1 -15.807 -15.315 3.995 1.00 32.44 C ATOM 51 NE2 HIS A 1 -16.742 -14.902 4.832 1.00 32.12 N ATOM 0 H HIS A 1 -16.056 -16.339 7.991 1.00 21.22 H new ATOM 0 HA HIS A 1 -13.466 -15.428 9.109 1.00 52.03 H new ATOM 0 HB2 HIS A 1 -13.225 -14.171 6.946 1.00 31.50 H new ATOM 0 HB3 HIS A 1 -13.106 -15.913 6.787 1.00 31.50 H new ATOM 0 HD2 HIS A 1 -16.702 -14.419 6.970 1.00 4.13 H new ATOM 0 HE1 HIS A 1 -15.946 -15.522 2.944 1.00 32.44 H new ATOM 0 HE2 HIS A 1 -17.718 -14.727 4.591 1.00 32.12 H new ATOM 59 N HIS A 2 -15.880 -14.125 9.901 1.00 33.54 N ATOM 60 CA HIS A 2 -16.634 -12.989 10.418 1.00 24.03 C ATOM 61 C HIS A 2 -15.725 -12.041 11.195 1.00 63.52 C ATOM 62 O HIS A 2 -15.897 -10.823 11.149 1.00 4.20 O ATOM 63 CB HIS A 2 -17.774 -13.472 11.316 1.00 32.11 C ATOM 64 CG HIS A 2 -18.730 -14.395 10.626 1.00 2.22 C ATOM 65 ND1 HIS A 2 -19.733 -13.952 9.791 1.00 55.23 N ATOM 66 CD2 HIS A 2 -18.832 -15.745 10.651 1.00 45.43 C ATOM 67 CE1 HIS A 2 -20.411 -14.988 9.332 1.00 2.54 C ATOM 68 NE2 HIS A 2 -19.885 -16.088 9.838 1.00 72.04 N ATOM 0 H HIS A 2 -16.059 -15.005 10.384 1.00 33.54 H new ATOM 0 HA HIS A 2 -17.054 -12.448 9.570 1.00 24.03 H new ATOM 0 HB2 HIS A 2 -17.352 -13.981 12.183 1.00 32.11 H new ATOM 0 HB3 HIS A 2 -18.322 -12.607 11.690 1.00 32.11 H new ATOM 0 HD2 HIS A 2 -18.203 -16.425 11.206 1.00 45.43 H new ATOM 0 HE1 HIS A 2 -21.253 -14.943 8.657 1.00 2.54 H new ATOM 0 HE2 HIS A 2 -20.208 -17.038 9.655 1.00 72.04 H new ATOM 76 N HIS A 3 -14.758 -12.610 11.907 1.00 13.21 N ATOM 77 CA HIS A 3 -13.821 -11.815 12.694 1.00 42.42 C ATOM 78 C HIS A 3 -12.849 -11.066 11.788 1.00 63.20 C ATOM 79 O HIS A 3 -12.377 -11.604 10.786 1.00 2.02 O ATOM 80 CB HIS A 3 -13.046 -12.711 13.661 1.00 1.22 C ATOM 81 CG HIS A 3 -12.268 -13.795 12.981 1.00 65.11 C ATOM 82 ND1 HIS A 3 -10.930 -13.676 12.667 1.00 71.31 N ATOM 83 CD2 HIS A 3 -12.645 -15.023 12.557 1.00 41.43 C ATOM 84 CE1 HIS A 3 -10.519 -14.784 12.076 1.00 65.21 C ATOM 85 NE2 HIS A 3 -11.540 -15.618 11.998 1.00 12.34 N ATOM 0 H HIS A 3 -14.602 -13.617 11.956 1.00 13.21 H new ATOM 0 HA HIS A 3 -14.394 -11.085 13.266 1.00 42.42 H new ATOM 0 HB2 HIS A 3 -12.361 -12.095 14.244 1.00 1.22 H new ATOM 0 HB3 HIS A 3 -13.746 -13.163 14.364 1.00 1.22 H new ATOM 0 HD2 HIS A 3 -13.631 -15.455 12.642 1.00 41.43 H new ATOM 0 HE1 HIS A 3 -9.518 -14.975 11.718 1.00 65.21 H new ATOM 0 HE2 HIS A 3 -11.513 -16.552 11.589 1.00 12.34 H new ATOM 93 N HIS A 4 -12.553 -9.820 12.146 1.00 40.35 N ATOM 94 CA HIS A 4 -11.637 -8.996 11.365 1.00 22.10 C ATOM 95 C HIS A 4 -10.195 -9.459 11.553 1.00 74.02 C ATOM 96 O HIS A 4 -9.930 -10.419 12.277 1.00 44.32 O ATOM 97 CB HIS A 4 -11.770 -7.527 11.766 1.00 1.30 C ATOM 98 CG HIS A 4 -13.156 -6.983 11.595 1.00 5.31 C ATOM 99 ND1 HIS A 4 -14.105 -7.581 10.794 1.00 64.23 N ATOM 100 CD2 HIS A 4 -13.749 -5.891 12.129 1.00 51.54 C ATOM 101 CE1 HIS A 4 -15.224 -6.879 10.841 1.00 54.22 C ATOM 102 NE2 HIS A 4 -15.034 -5.847 11.645 1.00 4.14 N ATOM 0 H HIS A 4 -12.934 -9.359 12.972 1.00 40.35 H new ATOM 0 HA HIS A 4 -11.900 -9.102 10.312 1.00 22.10 H new ATOM 0 HB2 HIS A 4 -11.470 -7.415 12.808 1.00 1.30 H new ATOM 0 HB3 HIS A 4 -11.079 -6.932 11.169 1.00 1.30 H new ATOM 0 HD2 HIS A 4 -13.296 -5.185 12.809 1.00 51.54 H new ATOM 0 HE1 HIS A 4 -16.137 -7.109 10.313 1.00 54.22 H new ATOM 0 HE2 HIS A 4 -15.728 -5.134 11.869 1.00 4.14 H new ATOM 110 N HIS A 5 -9.268 -8.770 10.897 1.00 60.24 N ATOM 111 CA HIS A 5 -7.852 -9.110 10.993 1.00 11.12 C ATOM 112 C HIS A 5 -7.284 -8.697 12.348 1.00 33.24 C ATOM 113 O HIS A 5 -6.869 -7.554 12.538 1.00 12.22 O ATOM 114 CB HIS A 5 -7.065 -8.432 9.870 1.00 22.12 C ATOM 115 CG HIS A 5 -7.084 -9.195 8.582 1.00 33.15 C ATOM 116 ND1 HIS A 5 -6.640 -10.497 8.472 1.00 43.31 N ATOM 117 CD2 HIS A 5 -7.496 -8.835 7.344 1.00 2.04 C ATOM 118 CE1 HIS A 5 -6.778 -10.902 7.222 1.00 73.02 C ATOM 119 NE2 HIS A 5 -7.296 -9.911 6.517 1.00 44.41 N ATOM 0 H HIS A 5 -9.471 -7.973 10.293 1.00 60.24 H new ATOM 0 HA HIS A 5 -7.757 -10.191 10.893 1.00 11.12 H new ATOM 0 HB2 HIS A 5 -7.475 -7.437 9.699 1.00 22.12 H new ATOM 0 HB3 HIS A 5 -6.031 -8.300 10.190 1.00 22.12 H new ATOM 0 HD2 HIS A 5 -7.906 -7.877 7.060 1.00 2.04 H new ATOM 0 HE1 HIS A 5 -6.513 -11.877 6.841 1.00 73.02 H new ATOM 0 HE2 HIS A 5 -7.512 -9.941 5.521 1.00 44.41 H new ATOM 127 N THR A 6 -7.270 -9.637 13.289 1.00 44.42 N ATOM 128 CA THR A 6 -6.756 -9.370 14.626 1.00 11.22 C ATOM 129 C THR A 6 -5.833 -10.491 15.094 1.00 23.31 C ATOM 130 O THR A 6 -5.744 -11.542 14.458 1.00 44.55 O ATOM 131 CB THR A 6 -7.899 -9.204 15.645 1.00 11.30 C ATOM 132 OG1 THR A 6 -7.376 -8.756 16.900 1.00 25.35 O ATOM 133 CG2 THR A 6 -8.645 -10.517 15.840 1.00 51.53 C ATOM 0 H THR A 6 -7.609 -10.589 13.149 1.00 44.42 H new ATOM 0 HA THR A 6 -6.193 -8.439 14.568 1.00 11.22 H new ATOM 0 HB THR A 6 -8.597 -8.462 15.257 1.00 11.30 H new ATOM 0 HG1 THR A 6 -7.777 -7.893 17.132 1.00 25.35 H new ATOM 0 HG21 THR A 6 -9.448 -10.375 16.564 1.00 51.53 H new ATOM 0 HG22 THR A 6 -9.067 -10.840 14.889 1.00 51.53 H new ATOM 0 HG23 THR A 6 -7.955 -11.276 16.207 1.00 51.53 H new ATOM 141 N LYS A 7 -5.147 -10.259 16.207 1.00 74.22 N ATOM 142 CA LYS A 7 -4.232 -11.249 16.762 1.00 52.34 C ATOM 143 C LYS A 7 -4.762 -11.802 18.081 1.00 44.13 C ATOM 144 O LYS A 7 -5.298 -11.062 18.905 1.00 11.03 O ATOM 145 CB LYS A 7 -2.847 -10.632 16.975 1.00 74.23 C ATOM 146 CG LYS A 7 -2.885 -9.281 17.669 1.00 71.23 C ATOM 147 CD LYS A 7 -2.946 -8.140 16.667 1.00 12.54 C ATOM 148 CE LYS A 7 -1.554 -7.678 16.264 1.00 45.02 C ATOM 149 NZ LYS A 7 -0.924 -6.833 17.316 1.00 71.41 N1+ ATOM 0 H LYS A 7 -5.207 -9.393 16.743 1.00 74.22 H new ATOM 0 HA LYS A 7 -4.151 -12.071 16.050 1.00 52.34 H new ATOM 0 HB2 LYS A 7 -2.239 -11.318 17.566 1.00 74.23 H new ATOM 0 HB3 LYS A 7 -2.355 -10.521 16.009 1.00 74.23 H new ATOM 0 HG2 LYS A 7 -3.752 -9.234 18.328 1.00 71.23 H new ATOM 0 HG3 LYS A 7 -2.001 -9.168 18.296 1.00 71.23 H new ATOM 0 HD2 LYS A 7 -3.495 -8.461 15.782 1.00 12.54 H new ATOM 0 HD3 LYS A 7 -3.497 -7.304 17.098 1.00 12.54 H new ATOM 0 HE2 LYS A 7 -0.925 -8.547 16.071 1.00 45.02 H new ATOM 0 HE3 LYS A 7 -1.614 -7.114 15.333 1.00 45.02 H new ATOM 0 HZ1 LYS A 7 -0.014 -6.469 16.970 1.00 71.41 H new ATOM 0 HZ2 LYS A 7 -1.552 -6.036 17.543 1.00 71.41 H new ATOM 0 HZ3 LYS A 7 -0.766 -7.404 18.171 1.00 71.41 H new ATOM 163 N GLY A 8 -4.607 -13.110 18.274 1.00 4.54 N ATOM 164 CA GLY A 8 -5.074 -13.738 19.496 1.00 1.12 C ATOM 165 C GLY A 8 -6.576 -13.625 19.669 1.00 12.44 C ATOM 166 O GLY A 8 -7.076 -12.612 20.156 1.00 42.34 O ATOM 0 H GLY A 8 -4.167 -13.744 17.607 1.00 4.54 H new ATOM 0 HA2 GLY A 8 -4.790 -14.790 19.491 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -4.577 -13.278 20.350 1.00 1.12 H new ATOM 170 N ASN A 9 -7.296 -14.667 19.267 1.00 51.20 N ATOM 171 CA ASN A 9 -8.751 -14.679 19.378 1.00 63.11 C ATOM 172 C ASN A 9 -9.217 -15.808 20.291 1.00 4.24 C ATOM 173 O ASN A 9 -8.835 -16.965 20.112 1.00 20.25 O ATOM 174 CB ASN A 9 -9.386 -14.832 17.995 1.00 62.31 C ATOM 175 CG ASN A 9 -10.860 -15.182 18.072 1.00 62.52 C ATOM 176 OD1 ASN A 9 -11.332 -16.085 17.380 1.00 73.41 O ATOM 177 ND2 ASN A 9 -11.596 -14.468 18.916 1.00 54.03 N ATOM 0 H ASN A 9 -6.897 -15.514 18.862 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.066 -13.730 19.813 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -9.264 -13.903 17.437 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -8.859 -15.608 17.440 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -12.594 -14.659 19.010 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -11.164 -13.729 19.470 1.00 54.03 H new ATOM 184 N VAL A 10 -10.046 -15.464 21.272 1.00 11.42 N ATOM 185 CA VAL A 10 -10.566 -16.449 22.214 1.00 24.54 C ATOM 186 C VAL A 10 -12.088 -16.515 22.154 1.00 65.31 C ATOM 187 O VAL A 10 -12.769 -15.491 22.238 1.00 73.33 O ATOM 188 CB VAL A 10 -10.133 -16.129 23.657 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.742 -17.126 24.631 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.616 -16.121 23.768 1.00 42.41 C ATOM 0 H VAL A 10 -10.372 -14.511 21.435 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.151 -17.415 21.924 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.499 -15.135 23.916 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.425 -16.884 25.645 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -11.829 -17.077 24.569 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.409 -18.132 24.377 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.327 -15.893 24.794 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.226 -17.100 23.490 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.206 -15.364 23.099 1.00 42.41 H new ATOM 200 N THR A 11 -12.618 -17.725 22.011 1.00 10.10 N ATOM 201 CA THR A 11 -14.059 -17.926 21.939 1.00 34.03 C ATOM 202 C THR A 11 -14.513 -19.008 22.912 1.00 20.04 C ATOM 203 O THR A 11 -13.697 -19.614 23.606 1.00 73.43 O ATOM 204 CB THR A 11 -14.504 -18.312 20.516 1.00 22.23 C ATOM 205 OG1 THR A 11 -13.554 -19.212 19.934 1.00 45.23 O ATOM 206 CG2 THR A 11 -14.643 -17.077 19.638 1.00 3.03 C ATOM 0 H THR A 11 -12.069 -18.582 21.943 1.00 10.10 H new ATOM 0 HA THR A 11 -14.523 -16.978 22.211 1.00 34.03 H new ATOM 0 HB THR A 11 -15.476 -18.802 20.583 1.00 22.23 H new ATOM 0 HG1 THR A 11 -13.844 -19.454 19.030 1.00 45.23 H new ATOM 0 HG21 THR A 11 -14.958 -17.375 18.638 1.00 3.03 H new ATOM 0 HG22 THR A 11 -15.387 -16.407 20.068 1.00 3.03 H new ATOM 0 HG23 THR A 11 -13.683 -16.563 19.578 1.00 3.03 H new ATOM 214 N SER A 12 -15.820 -19.247 22.958 1.00 72.20 N ATOM 215 CA SER A 12 -16.382 -20.255 23.848 1.00 63.13 C ATOM 216 C SER A 12 -16.613 -21.568 23.106 1.00 64.31 C ATOM 217 O SER A 12 -16.853 -21.578 21.897 1.00 41.10 O ATOM 218 CB SER A 12 -17.698 -19.759 24.450 1.00 31.13 C ATOM 219 OG SER A 12 -17.977 -20.412 25.676 1.00 24.24 O ATOM 0 H SER A 12 -16.509 -18.756 22.389 1.00 72.20 H new ATOM 0 HA SER A 12 -15.667 -20.432 24.651 1.00 63.13 H new ATOM 0 HB2 SER A 12 -17.644 -18.682 24.612 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.512 -19.935 23.747 1.00 31.13 H new ATOM 0 HG SER A 12 -18.476 -19.806 26.263 1.00 24.24 H new ATOM 225 N LYS A 13 -16.539 -22.675 23.837 1.00 44.22 N ATOM 226 CA LYS A 13 -16.742 -23.995 23.251 1.00 60.22 C ATOM 227 C LYS A 13 -18.203 -24.419 23.356 1.00 54.30 C ATOM 228 O LYS A 13 -18.535 -25.592 23.181 1.00 2.34 O ATOM 229 CB LYS A 13 -15.849 -25.026 23.946 1.00 51.22 C ATOM 230 CG LYS A 13 -15.755 -26.347 23.201 1.00 2.31 C ATOM 231 CD LYS A 13 -16.403 -27.476 23.985 1.00 13.33 C ATOM 232 CE LYS A 13 -16.923 -28.568 23.062 1.00 53.45 C ATOM 233 NZ LYS A 13 -17.618 -29.646 23.816 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.340 -22.684 24.837 1.00 44.22 H new ATOM 0 HA LYS A 13 -16.473 -23.942 22.196 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -14.848 -24.610 24.060 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.233 -25.210 24.949 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -16.239 -26.253 22.229 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -14.708 -26.587 23.014 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -15.679 -27.900 24.680 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -17.225 -27.081 24.582 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -17.609 -28.133 22.335 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -16.092 -28.995 22.500 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -17.958 -30.371 23.152 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -16.957 -30.079 24.492 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -18.426 -29.243 24.332 1.00 51.21 H new ATOM 247 N THR A 14 -19.076 -23.456 23.640 1.00 41.41 N ATOM 248 CA THR A 14 -20.501 -23.730 23.768 1.00 75.14 C ATOM 249 C THR A 14 -21.228 -23.484 22.451 1.00 53.42 C ATOM 250 O THR A 14 -21.854 -24.389 21.898 1.00 1.11 O ATOM 251 CB THR A 14 -21.144 -22.861 24.866 1.00 22.31 C ATOM 252 OG1 THR A 14 -20.838 -21.480 24.639 1.00 34.11 O ATOM 253 CG2 THR A 14 -20.648 -23.276 26.243 1.00 0.42 C ATOM 0 H THR A 14 -18.820 -22.480 23.786 1.00 41.41 H new ATOM 0 HA THR A 14 -20.598 -24.780 24.043 1.00 75.14 H new ATOM 0 HB THR A 14 -22.224 -23.005 24.828 1.00 22.31 H new ATOM 0 HG1 THR A 14 -19.949 -21.279 24.998 1.00 34.11 H new ATOM 0 HG21 THR A 14 -21.115 -22.649 27.002 1.00 0.42 H new ATOM 0 HG22 THR A 14 -20.907 -24.319 26.424 1.00 0.42 H new ATOM 0 HG23 THR A 14 -19.565 -23.158 26.291 1.00 0.42 H new ATOM 261 N ASP A 15 -21.141 -22.255 21.953 1.00 13.30 N ATOM 262 CA ASP A 15 -21.790 -21.891 20.698 1.00 3.24 C ATOM 263 C ASP A 15 -20.765 -21.404 19.678 1.00 54.23 C ATOM 264 O ASP A 15 -20.978 -21.510 18.471 1.00 30.21 O ATOM 265 CB ASP A 15 -22.842 -20.808 20.939 1.00 34.54 C ATOM 266 CG ASP A 15 -24.169 -21.381 21.397 1.00 5.42 C ATOM 267 OD1 ASP A 15 -24.972 -20.623 21.980 1.00 25.13 O ATOM 268 OD2 ASP A 15 -24.404 -22.587 21.173 1.00 72.52 O1- ATOM 0 H ASP A 15 -20.628 -21.494 22.399 1.00 13.30 H new ATOM 0 HA ASP A 15 -22.279 -22.780 20.299 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -22.474 -20.108 21.689 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -22.992 -20.241 20.020 1.00 34.54 H new ATOM 273 N GLY A 16 -19.652 -20.871 20.172 1.00 45.50 N ATOM 274 CA GLY A 16 -18.612 -20.375 19.291 1.00 13.14 C ATOM 275 C GLY A 16 -18.578 -18.861 19.227 1.00 50.04 C ATOM 276 O GLY A 16 -18.190 -18.285 18.212 1.00 53.34 O ATOM 0 H GLY A 16 -19.452 -20.774 21.168 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -17.645 -20.743 19.633 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -18.768 -20.774 18.289 1.00 13.14 H new ATOM 280 N GLN A 17 -18.990 -18.215 20.314 1.00 15.14 N ATOM 281 CA GLN A 17 -19.008 -16.759 20.376 1.00 71.43 C ATOM 282 C GLN A 17 -17.725 -16.225 21.004 1.00 32.32 C ATOM 283 O GLN A 17 -17.003 -16.938 21.702 1.00 12.20 O ATOM 284 CB GLN A 17 -20.220 -16.276 21.173 1.00 54.31 C ATOM 285 CG GLN A 17 -21.458 -16.048 20.321 1.00 63.40 C ATOM 286 CD GLN A 17 -22.272 -17.312 20.124 1.00 73.24 C ATOM 287 OE1 GLN A 17 -21.944 -18.151 19.285 1.00 3.00 O ATOM 288 NE2 GLN A 17 -23.341 -17.454 20.899 1.00 74.15 N ATOM 0 H GLN A 17 -19.315 -18.677 21.163 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.078 -16.378 19.357 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.451 -17.009 21.946 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -19.963 -15.347 21.681 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -22.082 -15.288 20.790 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -21.158 -15.658 19.348 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -23.576 -16.733 21.581 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -23.927 -18.284 20.812 1.00 74.15 H new ATOM 297 N PRO A 18 -17.432 -14.941 20.752 1.00 51.11 N ATOM 298 CA PRO A 18 -16.235 -14.282 21.285 1.00 61.23 C ATOM 299 C PRO A 18 -16.312 -14.072 22.793 1.00 5.35 C ATOM 300 O PRO A 18 -17.363 -13.715 23.327 1.00 41.13 O ATOM 301 CB PRO A 18 -16.217 -12.937 20.557 1.00 11.54 C ATOM 302 CG PRO A 18 -17.639 -12.681 20.195 1.00 0.34 C ATOM 303 CD PRO A 18 -18.246 -14.032 19.929 1.00 14.12 C ATOM 0 HA PRO A 18 -15.337 -14.879 21.128 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -15.823 -12.147 21.196 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -15.584 -12.975 19.671 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.162 -12.170 21.003 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -17.709 -12.041 19.315 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.297 -14.063 20.216 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.196 -14.294 18.872 1.00 14.12 H new ATOM 311 N ILE A 19 -15.193 -14.293 23.475 1.00 51.31 N ATOM 312 CA ILE A 19 -15.135 -14.125 24.922 1.00 72.32 C ATOM 313 C ILE A 19 -14.885 -12.668 25.296 1.00 61.13 C ATOM 314 O ILE A 19 -13.815 -12.122 25.025 1.00 31.30 O ATOM 315 CB ILE A 19 -14.033 -15.000 25.546 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.291 -16.478 25.242 1.00 63.22 C ATOM 317 CG2 ILE A 19 -13.958 -14.768 27.048 1.00 24.05 C ATOM 318 CD1 ILE A 19 -15.637 -16.968 25.727 1.00 75.31 C ATOM 0 H ILE A 19 -14.315 -14.589 23.049 1.00 51.31 H new ATOM 0 HA ILE A 19 -16.102 -14.438 25.316 1.00 72.32 H new ATOM 0 HB ILE A 19 -13.076 -14.720 25.107 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.222 -16.637 24.166 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.507 -17.078 25.704 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -13.174 -15.394 27.474 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -13.732 -13.720 27.243 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -14.914 -15.024 27.504 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -15.752 -18.023 25.478 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -15.703 -16.841 26.808 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.428 -16.393 25.246 1.00 75.31 H new ATOM 330 N ILE A 20 -15.876 -12.045 25.924 1.00 0.14 N ATOM 331 CA ILE A 20 -15.763 -10.653 26.338 1.00 33.25 C ATOM 332 C ILE A 20 -15.450 -10.547 27.828 1.00 4.43 C ATOM 333 O ILE A 20 -16.130 -11.146 28.659 1.00 31.01 O ATOM 334 CB ILE A 20 -17.054 -9.869 26.039 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.520 -10.138 24.606 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.834 -8.380 26.259 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.796 -9.414 24.240 1.00 42.20 C ATOM 0 H ILE A 20 -16.767 -12.483 26.157 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.944 -10.219 25.765 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.832 -10.206 26.724 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.732 -9.841 23.914 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.670 -11.210 24.476 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.756 -7.840 26.043 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.544 -8.204 27.295 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -16.044 -8.027 25.596 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -19.067 -9.651 23.211 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.598 -9.729 24.908 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.645 -8.339 24.337 1.00 42.20 H new ATOM 349 N GLY A 21 -14.418 -9.777 28.157 1.00 4.13 N ATOM 350 CA GLY A 21 -14.034 -9.604 29.545 1.00 62.52 C ATOM 351 C GLY A 21 -13.159 -10.735 30.050 1.00 10.52 C ATOM 352 O GLY A 21 -13.220 -11.099 31.223 1.00 13.11 O ATOM 0 H GLY A 21 -13.841 -9.270 27.486 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.502 -8.659 29.656 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.931 -9.539 30.161 1.00 62.52 H new ATOM 356 N ALA A 22 -12.343 -11.292 29.161 1.00 14.24 N ATOM 357 CA ALA A 22 -11.453 -12.387 29.523 1.00 24.05 C ATOM 358 C ALA A 22 -10.096 -11.863 29.980 1.00 13.45 C ATOM 359 O ALA A 22 -9.524 -10.967 29.358 1.00 23.13 O ATOM 360 CB ALA A 22 -11.285 -13.341 28.349 1.00 63.11 C ATOM 0 H ALA A 22 -12.280 -11.002 28.185 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.903 -12.928 30.355 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.617 -14.154 28.634 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -12.256 -13.749 28.070 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.861 -12.803 27.501 1.00 63.11 H new ATOM 366 N SER A 23 -9.585 -12.427 31.070 1.00 20.43 N ATOM 367 CA SER A 23 -8.296 -12.012 31.613 1.00 45.41 C ATOM 368 C SER A 23 -7.154 -12.755 30.926 1.00 32.33 C ATOM 369 O SER A 23 -6.944 -13.945 31.159 1.00 40.44 O ATOM 370 CB SER A 23 -8.250 -12.263 33.121 1.00 52.44 C ATOM 371 OG SER A 23 -9.285 -11.562 33.788 1.00 21.24 O ATOM 0 H SER A 23 -10.043 -13.172 31.594 1.00 20.43 H new ATOM 0 HA SER A 23 -8.176 -10.945 31.426 1.00 45.41 H new ATOM 0 HB2 SER A 23 -8.345 -13.331 33.318 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.283 -11.951 33.515 1.00 52.44 H new ATOM 0 HG SER A 23 -9.234 -11.741 34.750 1.00 21.24 H new ATOM 377 N VAL A 24 -6.418 -12.042 30.079 1.00 70.10 N ATOM 378 CA VAL A 24 -5.296 -12.632 29.359 1.00 11.40 C ATOM 379 C VAL A 24 -3.985 -11.942 29.724 1.00 21.15 C ATOM 380 O VAL A 24 -3.843 -10.731 29.561 1.00 75.44 O ATOM 381 CB VAL A 24 -5.501 -12.548 27.835 1.00 12.12 C ATOM 382 CG1 VAL A 24 -5.859 -11.129 27.422 1.00 65.33 C ATOM 383 CG2 VAL A 24 -4.255 -13.026 27.104 1.00 64.12 C ATOM 0 H VAL A 24 -6.579 -11.056 29.875 1.00 70.10 H new ATOM 0 HA VAL A 24 -5.246 -13.680 29.654 1.00 11.40 H new ATOM 0 HB VAL A 24 -6.330 -13.201 27.560 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -6.000 -11.089 26.342 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -6.780 -10.827 27.920 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -5.053 -10.453 27.708 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -4.417 -12.960 26.028 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -3.407 -12.400 27.383 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -4.047 -14.061 27.377 1.00 64.12 H new ATOM 393 N VAL A 25 -3.030 -12.723 30.218 1.00 54.40 N ATOM 394 CA VAL A 25 -1.730 -12.189 30.605 1.00 74.22 C ATOM 395 C VAL A 25 -0.598 -13.069 30.088 1.00 74.52 C ATOM 396 O VAL A 25 -0.769 -14.275 29.908 1.00 52.34 O ATOM 397 CB VAL A 25 -1.608 -12.060 32.135 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.758 -11.237 32.694 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.562 -13.436 32.782 1.00 31.03 C ATOM 0 H VAL A 25 -3.132 -13.728 30.360 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.649 -11.198 30.157 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.677 -11.543 32.367 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.655 -11.156 33.776 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.741 -10.241 32.253 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.704 -11.723 32.454 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.476 -13.327 33.863 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.476 -13.981 32.544 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.702 -13.988 32.403 1.00 31.03 H new ATOM 409 N GLU A 26 0.559 -12.458 29.851 1.00 60.03 N ATOM 410 CA GLU A 26 1.720 -13.188 29.355 1.00 2.03 C ATOM 411 C GLU A 26 2.363 -14.010 30.469 1.00 74.12 C ATOM 412 O GLU A 26 2.591 -13.512 31.572 1.00 32.34 O ATOM 413 CB GLU A 26 2.746 -12.218 28.765 1.00 54.12 C ATOM 414 CG GLU A 26 3.806 -12.897 27.915 1.00 11.04 C ATOM 415 CD GLU A 26 3.374 -13.071 26.471 1.00 42.11 C ATOM 416 OE1 GLU A 26 3.828 -14.040 25.828 1.00 1.54 O ATOM 417 OE2 GLU A 26 2.582 -12.236 25.985 1.00 73.20 O1- ATOM 0 H GLU A 26 0.717 -11.461 29.994 1.00 60.03 H new ATOM 0 HA GLU A 26 1.382 -13.869 28.573 1.00 2.03 H new ATOM 0 HB2 GLU A 26 2.226 -11.477 28.158 1.00 54.12 H new ATOM 0 HB3 GLU A 26 3.234 -11.680 29.578 1.00 54.12 H new ATOM 0 HG2 GLU A 26 4.723 -12.309 27.947 1.00 11.04 H new ATOM 0 HG3 GLU A 26 4.037 -13.873 28.341 1.00 11.04 H new ATOM 424 N THR A 27 2.653 -15.273 30.171 1.00 32.44 N ATOM 425 CA THR A 27 3.268 -16.165 31.146 1.00 21.42 C ATOM 426 C THR A 27 4.512 -15.534 31.761 1.00 43.23 C ATOM 427 O THR A 27 4.804 -15.735 32.941 1.00 52.43 O ATOM 428 CB THR A 27 3.653 -17.514 30.508 1.00 43.33 C ATOM 429 OG1 THR A 27 4.648 -17.313 29.499 1.00 43.23 O ATOM 430 CG2 THR A 27 2.435 -18.192 29.899 1.00 11.11 C ATOM 0 H THR A 27 2.472 -15.701 29.263 1.00 32.44 H new ATOM 0 HA THR A 27 2.528 -16.338 31.927 1.00 21.42 H new ATOM 0 HB THR A 27 4.055 -18.159 31.290 1.00 43.33 H new ATOM 0 HG1 THR A 27 4.222 -16.979 28.682 1.00 43.23 H new ATOM 0 HG21 THR A 27 2.732 -19.142 29.455 1.00 11.11 H new ATOM 0 HG22 THR A 27 1.692 -18.371 30.676 1.00 11.11 H new ATOM 0 HG23 THR A 27 2.008 -17.549 29.129 1.00 11.11 H new ATOM 438 N THR A 28 5.241 -14.768 30.956 1.00 30.42 N ATOM 439 CA THR A 28 6.454 -14.108 31.422 1.00 4.41 C ATOM 440 C THR A 28 6.173 -12.667 31.831 1.00 13.12 C ATOM 441 O THR A 28 6.923 -12.073 32.605 1.00 64.00 O ATOM 442 CB THR A 28 7.550 -14.118 30.340 1.00 64.03 C ATOM 443 OG1 THR A 28 7.036 -13.581 29.117 1.00 63.55 O ATOM 444 CG2 THR A 28 8.064 -15.530 30.103 1.00 20.21 C ATOM 0 H THR A 28 5.013 -14.589 29.978 1.00 30.42 H new ATOM 0 HA THR A 28 6.805 -14.667 32.289 1.00 4.41 H new ATOM 0 HB THR A 28 8.378 -13.500 30.688 1.00 64.03 H new ATOM 0 HG1 THR A 28 7.740 -13.589 28.435 1.00 63.55 H new ATOM 0 HG21 THR A 28 8.837 -15.512 29.335 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.482 -15.925 31.029 1.00 20.21 H new ATOM 0 HG23 THR A 28 7.242 -16.166 29.775 1.00 20.21 H new ATOM 452 N ALA A 29 5.087 -12.109 31.306 1.00 21.15 N ATOM 453 CA ALA A 29 4.705 -10.737 31.620 1.00 63.21 C ATOM 454 C ALA A 29 3.260 -10.666 32.102 1.00 61.33 C ATOM 455 O ALA A 29 2.336 -10.495 31.307 1.00 2.51 O ATOM 456 CB ALA A 29 4.902 -9.844 30.404 1.00 62.41 C ATOM 0 H ALA A 29 4.456 -12.586 30.661 1.00 21.15 H new ATOM 0 HA ALA A 29 5.347 -10.382 32.426 1.00 63.21 H new ATOM 0 HB1 ALA A 29 4.613 -8.823 30.652 1.00 62.41 H new ATOM 0 HB2 ALA A 29 5.950 -9.862 30.105 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.284 -10.206 29.582 1.00 62.41 H new ATOM 462 N THR A 30 3.071 -10.799 33.412 1.00 64.05 N ATOM 463 CA THR A 30 1.740 -10.752 34.000 1.00 52.03 C ATOM 464 C THR A 30 1.326 -9.317 34.310 1.00 44.32 C ATOM 465 O THR A 30 0.155 -8.955 34.181 1.00 33.44 O ATOM 466 CB THR A 30 1.667 -11.586 35.294 1.00 73.01 C ATOM 467 OG1 THR A 30 2.838 -11.362 36.088 1.00 1.52 O ATOM 468 CG2 THR A 30 1.539 -13.067 34.976 1.00 41.22 C ATOM 0 H THR A 30 3.824 -10.940 34.085 1.00 64.05 H new ATOM 0 HA THR A 30 1.055 -11.175 33.265 1.00 52.03 H new ATOM 0 HB THR A 30 0.785 -11.273 35.853 1.00 73.01 H new ATOM 0 HG1 THR A 30 2.783 -11.894 36.909 1.00 1.52 H new ATOM 0 HG21 THR A 30 1.489 -13.636 35.905 1.00 41.22 H new ATOM 0 HG22 THR A 30 0.631 -13.238 34.397 1.00 41.22 H new ATOM 0 HG23 THR A 30 2.404 -13.391 34.398 1.00 41.22 H new ATOM 476 N THR A 31 2.293 -8.503 34.720 1.00 20.21 N ATOM 477 CA THR A 31 2.029 -7.108 35.049 1.00 74.23 C ATOM 478 C THR A 31 1.394 -6.376 33.872 1.00 5.21 C ATOM 479 O THR A 31 0.606 -5.450 34.057 1.00 44.33 O ATOM 480 CB THR A 31 3.319 -6.373 35.458 1.00 70.21 C ATOM 481 OG1 THR A 31 3.905 -7.012 36.599 1.00 65.04 O ATOM 482 CG2 THR A 31 3.033 -4.914 35.780 1.00 32.33 C ATOM 0 H THR A 31 3.267 -8.786 34.832 1.00 20.21 H new ATOM 0 HA THR A 31 1.337 -7.108 35.891 1.00 74.23 H new ATOM 0 HB THR A 31 4.015 -6.414 34.620 1.00 70.21 H new ATOM 0 HG1 THR A 31 4.726 -6.540 36.852 1.00 65.04 H new ATOM 0 HG21 THR A 31 3.959 -4.416 36.066 1.00 32.33 H new ATOM 0 HG22 THR A 31 2.613 -4.423 34.902 1.00 32.33 H new ATOM 0 HG23 THR A 31 2.321 -4.856 36.603 1.00 32.33 H new ATOM 490 N ASN A 32 1.742 -6.800 32.660 1.00 33.34 N ATOM 491 CA ASN A 32 1.205 -6.184 31.452 1.00 52.15 C ATOM 492 C ASN A 32 -0.037 -6.926 30.970 1.00 70.20 C ATOM 493 O ASN A 32 -0.318 -6.977 29.773 1.00 25.25 O ATOM 494 CB ASN A 32 2.264 -6.168 30.348 1.00 21.20 C ATOM 495 CG ASN A 32 3.446 -5.283 30.694 1.00 12.02 C ATOM 496 OD1 ASN A 32 3.478 -4.656 31.753 1.00 74.30 O ATOM 497 ND2 ASN A 32 4.425 -5.228 29.799 1.00 53.21 N ATOM 0 H ASN A 32 2.393 -7.567 32.489 1.00 33.34 H new ATOM 0 HA ASN A 32 0.924 -5.158 31.691 1.00 52.15 H new ATOM 0 HB2 ASN A 32 2.615 -7.185 30.170 1.00 21.20 H new ATOM 0 HB3 ASN A 32 1.812 -5.819 29.420 1.00 21.20 H new ATOM 0 HD21 ASN A 32 5.246 -4.649 29.976 1.00 53.21 H new ATOM 0 HD22 ASN A 32 4.356 -5.765 28.934 1.00 53.21 H new ATOM 504 N GLY A 33 -0.781 -7.502 31.911 1.00 61.22 N ATOM 505 CA GLY A 33 -1.984 -8.233 31.562 1.00 53.12 C ATOM 506 C GLY A 33 -3.039 -7.347 30.932 1.00 52.44 C ATOM 507 O GLY A 33 -3.154 -6.168 31.268 1.00 13.13 O ATOM 0 H GLY A 33 -0.571 -7.475 32.909 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.729 -9.037 30.871 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.394 -8.700 32.457 1.00 53.12 H new ATOM 511 N THR A 34 -3.813 -7.914 30.011 1.00 73.43 N ATOM 512 CA THR A 34 -4.862 -7.166 29.329 1.00 24.51 C ATOM 513 C THR A 34 -6.151 -7.977 29.248 1.00 64.20 C ATOM 514 O THR A 34 -6.162 -9.174 29.538 1.00 40.52 O ATOM 515 CB THR A 34 -4.431 -6.766 27.905 1.00 43.53 C ATOM 516 OG1 THR A 34 -5.371 -5.837 27.352 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.332 -7.989 27.005 1.00 1.21 C ATOM 0 H THR A 34 -3.733 -8.888 29.721 1.00 73.43 H new ATOM 0 HA THR A 34 -5.039 -6.264 29.914 1.00 24.51 H new ATOM 0 HB THR A 34 -3.448 -6.298 27.965 1.00 43.53 H new ATOM 0 HG1 THR A 34 -5.089 -5.586 26.447 1.00 72.33 H new ATOM 0 HG21 THR A 34 -4.026 -7.681 26.005 1.00 1.21 H new ATOM 0 HG22 THR A 34 -3.596 -8.682 27.412 1.00 1.21 H new ATOM 0 HG23 THR A 34 -5.303 -8.481 26.952 1.00 1.21 H new ATOM 525 N ILE A 35 -7.235 -7.317 28.854 1.00 53.35 N ATOM 526 CA ILE A 35 -8.529 -7.978 28.735 1.00 41.13 C ATOM 527 C ILE A 35 -8.954 -8.095 27.275 1.00 31.20 C ATOM 528 O ILE A 35 -8.484 -7.346 26.417 1.00 21.21 O ATOM 529 CB ILE A 35 -9.621 -7.222 29.517 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.625 -5.743 29.127 1.00 3.53 C ATOM 531 CG2 ILE A 35 -9.406 -7.382 31.014 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.956 -5.062 29.361 1.00 62.41 C ATOM 0 H ILE A 35 -7.243 -6.326 28.612 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.414 -8.976 29.159 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.592 -7.647 29.263 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.854 -5.223 29.696 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -9.359 -5.652 28.074 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -10.185 -6.843 31.553 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.448 -8.439 31.277 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -8.431 -6.979 31.287 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.887 -4.016 29.063 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.727 -5.557 28.771 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -11.214 -5.122 30.418 1.00 62.41 H new ATOM 544 N THR A 36 -9.848 -9.039 26.999 1.00 11.05 N ATOM 545 CA THR A 36 -10.337 -9.254 25.643 1.00 11.35 C ATOM 546 C THR A 36 -11.419 -8.243 25.282 1.00 20.04 C ATOM 547 O THR A 36 -12.150 -7.766 26.149 1.00 42.14 O ATOM 548 CB THR A 36 -10.902 -10.677 25.469 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.884 -10.941 26.477 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.792 -11.714 25.552 1.00 55.34 C ATOM 0 H THR A 36 -10.248 -9.667 27.696 1.00 11.05 H new ATOM 0 HA THR A 36 -9.485 -9.124 24.975 1.00 11.35 H new ATOM 0 HB THR A 36 -11.366 -10.742 24.485 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.719 -11.231 26.053 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.215 -12.711 25.426 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.061 -11.528 24.765 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.304 -11.647 26.524 1.00 55.34 H new ATOM 558 N ASP A 37 -11.516 -7.921 23.996 1.00 12.13 N ATOM 559 CA ASP A 37 -12.511 -6.967 23.520 1.00 12.53 C ATOM 560 C ASP A 37 -13.806 -7.677 23.137 1.00 15.53 C ATOM 561 O ASP A 37 -13.890 -8.904 23.185 1.00 0.31 O ATOM 562 CB ASP A 37 -11.968 -6.189 22.321 1.00 5.44 C ATOM 563 CG ASP A 37 -11.000 -5.096 22.729 1.00 34.54 C ATOM 564 OD1 ASP A 37 -10.493 -4.386 21.835 1.00 11.40 O ATOM 565 OD2 ASP A 37 -10.751 -4.948 23.944 1.00 5.53 O1- ATOM 0 H ASP A 37 -10.918 -8.307 23.265 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.726 -6.270 24.329 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -11.467 -6.878 21.641 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -12.799 -5.747 21.772 1.00 5.44 H new ATOM 570 N PHE A 38 -14.813 -6.897 22.760 1.00 33.31 N ATOM 571 CA PHE A 38 -16.105 -7.451 22.371 1.00 53.25 C ATOM 572 C PHE A 38 -15.947 -8.444 21.224 1.00 61.41 C ATOM 573 O PHE A 38 -16.721 -9.394 21.100 1.00 72.12 O ATOM 574 CB PHE A 38 -17.062 -6.331 21.963 1.00 35.41 C ATOM 575 CG PHE A 38 -17.135 -5.210 22.961 1.00 23.40 C ATOM 576 CD1 PHE A 38 -17.817 -5.371 24.155 1.00 64.43 C ATOM 577 CD2 PHE A 38 -16.519 -3.995 22.704 1.00 13.51 C ATOM 578 CE1 PHE A 38 -17.885 -4.342 25.076 1.00 20.23 C ATOM 579 CE2 PHE A 38 -16.584 -2.962 23.620 1.00 23.43 C ATOM 580 CZ PHE A 38 -17.267 -3.136 24.807 1.00 34.05 C ATOM 0 H PHE A 38 -14.760 -5.879 22.715 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.520 -7.978 23.230 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -16.748 -5.929 21.000 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -18.059 -6.749 21.824 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -18.302 -6.312 24.370 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -15.982 -3.854 21.778 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -18.420 -4.481 26.004 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -16.101 -2.020 23.407 1.00 23.43 H new ATOM 0 HZ PHE A 38 -17.318 -2.330 25.524 1.00 34.05 H new ATOM 590 N ASP A 39 -14.941 -8.218 20.387 1.00 22.51 N ATOM 591 CA ASP A 39 -14.680 -9.092 19.250 1.00 30.24 C ATOM 592 C ASP A 39 -14.087 -10.420 19.709 1.00 3.40 C ATOM 593 O ASP A 39 -14.112 -11.410 18.979 1.00 20.40 O ATOM 594 CB ASP A 39 -13.734 -8.410 18.261 1.00 73.22 C ATOM 595 CG ASP A 39 -14.429 -7.348 17.432 1.00 23.23 C ATOM 596 OD1 ASP A 39 -15.677 -7.336 17.408 1.00 51.04 O ATOM 597 OD2 ASP A 39 -13.724 -6.529 16.807 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.292 -7.436 20.475 1.00 22.51 H new ATOM 0 HA ASP A 39 -15.629 -9.292 18.753 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -12.907 -7.956 18.808 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -13.304 -9.161 17.598 1.00 73.22 H new ATOM 602 N GLY A 40 -13.549 -10.433 20.925 1.00 73.03 N ATOM 603 CA GLY A 40 -12.955 -11.643 21.461 1.00 73.43 C ATOM 604 C GLY A 40 -11.476 -11.752 21.144 1.00 75.31 C ATOM 605 O GLY A 40 -10.936 -12.852 21.040 1.00 64.34 O ATOM 0 H GLY A 40 -13.514 -9.626 21.548 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -13.094 -11.665 22.542 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.475 -12.510 21.055 1.00 73.43 H new ATOM 609 N ASN A 41 -10.820 -10.606 20.989 1.00 12.43 N ATOM 610 CA ASN A 41 -9.395 -10.578 20.679 1.00 23.51 C ATOM 611 C ASN A 41 -8.659 -9.604 21.593 1.00 23.24 C ATOM 612 O ASN A 41 -9.278 -8.776 22.263 1.00 21.02 O ATOM 613 CB ASN A 41 -9.177 -10.187 19.216 1.00 52.24 C ATOM 614 CG ASN A 41 -9.776 -8.833 18.885 1.00 71.23 C ATOM 615 OD1 ASN A 41 -9.526 -7.845 19.576 1.00 52.35 O ATOM 616 ND2 ASN A 41 -10.573 -8.782 17.823 1.00 22.41 N ATOM 0 H ASN A 41 -11.252 -9.686 21.073 1.00 12.43 H new ATOM 0 HA ASN A 41 -8.993 -11.578 20.844 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -8.108 -10.171 19.002 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -9.620 -10.945 18.570 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -11.005 -7.899 17.552 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -10.752 -9.626 17.279 1.00 22.41 H new ATOM 623 N PHE A 42 -7.335 -9.707 21.616 1.00 71.21 N ATOM 624 CA PHE A 42 -6.514 -8.835 22.448 1.00 52.03 C ATOM 625 C PHE A 42 -5.158 -8.580 21.795 1.00 31.22 C ATOM 626 O PHE A 42 -4.786 -9.243 20.827 1.00 60.33 O ATOM 627 CB PHE A 42 -6.317 -9.455 23.833 1.00 2.54 C ATOM 628 CG PHE A 42 -5.858 -10.885 23.791 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.509 -11.195 23.838 1.00 24.02 C ATOM 630 CD2 PHE A 42 -6.777 -11.919 23.703 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.083 -12.509 23.800 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.358 -13.234 23.665 1.00 3.45 C ATOM 633 CZ PHE A 42 -5.009 -13.530 23.713 1.00 22.53 C ATOM 0 H PHE A 42 -6.807 -10.386 21.068 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.032 -7.882 22.554 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -5.587 -8.864 24.386 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.256 -9.399 24.384 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -3.781 -10.400 23.905 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -7.832 -11.693 23.664 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.028 -12.737 23.838 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -7.084 -14.031 23.598 1.00 3.45 H new ATOM 0 HZ PHE A 42 -4.679 -14.558 23.683 1.00 22.53 H new ATOM 643 N THR A 43 -4.423 -7.611 22.333 1.00 70.14 N ATOM 644 CA THR A 43 -3.109 -7.265 21.804 1.00 1.25 C ATOM 645 C THR A 43 -2.062 -7.233 22.911 1.00 72.34 C ATOM 646 O THR A 43 -2.175 -6.463 23.865 1.00 32.41 O ATOM 647 CB THR A 43 -3.132 -5.899 21.094 1.00 55.40 C ATOM 648 OG1 THR A 43 -1.810 -5.541 20.678 1.00 61.44 O ATOM 649 CG2 THR A 43 -3.690 -4.821 22.012 1.00 0.43 C ATOM 0 H THR A 43 -4.715 -7.052 23.135 1.00 70.14 H new ATOM 0 HA THR A 43 -2.845 -8.037 21.081 1.00 1.25 H new ATOM 0 HB THR A 43 -3.778 -5.979 20.220 1.00 55.40 H new ATOM 0 HG1 THR A 43 -1.833 -4.672 20.226 1.00 61.44 H new ATOM 0 HG21 THR A 43 -3.696 -3.865 21.489 1.00 0.43 H new ATOM 0 HG22 THR A 43 -4.707 -5.082 22.303 1.00 0.43 H new ATOM 0 HG23 THR A 43 -3.066 -4.743 22.903 1.00 0.43 H new ATOM 657 N LEU A 44 -1.041 -8.073 22.777 1.00 30.33 N ATOM 658 CA LEU A 44 0.029 -8.140 23.766 1.00 30.51 C ATOM 659 C LEU A 44 1.395 -8.003 23.100 1.00 15.23 C ATOM 660 O LEU A 44 1.835 -8.893 22.374 1.00 43.42 O ATOM 661 CB LEU A 44 -0.045 -9.460 24.536 1.00 2.24 C ATOM 662 CG LEU A 44 -0.710 -9.396 25.912 1.00 41.34 C ATOM 663 CD1 LEU A 44 -2.112 -9.983 25.854 1.00 14.32 C ATOM 664 CD2 LEU A 44 0.133 -10.127 26.946 1.00 72.23 C ATOM 0 H LEU A 44 -0.932 -8.717 21.993 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.100 -7.312 24.462 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -0.586 -10.184 23.926 1.00 2.24 H new ATOM 0 HB3 LEU A 44 0.968 -9.842 24.661 1.00 2.24 H new ATOM 0 HG LEU A 44 -0.787 -8.350 26.209 1.00 41.34 H new ATOM 0 HD11 LEU A 44 -2.570 -9.929 26.842 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -2.714 -9.417 25.143 1.00 14.32 H new ATOM 0 HD13 LEU A 44 -2.058 -11.024 25.535 1.00 14.32 H new ATOM 0 HD21 LEU A 44 -0.355 -10.071 27.919 1.00 72.23 H new ATOM 0 HD22 LEU A 44 0.242 -11.172 26.654 1.00 72.23 H new ATOM 0 HD23 LEU A 44 1.117 -9.663 27.007 1.00 72.23 H new ATOM 676 N SER A 45 2.062 -6.881 23.356 1.00 73.42 N ATOM 677 CA SER A 45 3.377 -6.626 22.780 1.00 30.11 C ATOM 678 C SER A 45 4.482 -7.078 23.730 1.00 54.45 C ATOM 679 O SER A 45 4.677 -6.495 24.797 1.00 53.14 O ATOM 680 CB SER A 45 3.539 -5.138 22.464 1.00 12.24 C ATOM 681 OG SER A 45 3.037 -4.834 21.174 1.00 52.35 O ATOM 0 H SER A 45 1.713 -6.135 23.958 1.00 73.42 H new ATOM 0 HA SER A 45 3.459 -7.198 21.856 1.00 30.11 H new ATOM 0 HB2 SER A 45 3.013 -4.545 23.212 1.00 12.24 H new ATOM 0 HB3 SER A 45 4.592 -4.863 22.522 1.00 12.24 H new ATOM 0 HG SER A 45 3.150 -3.877 20.996 1.00 52.35 H new ATOM 687 N VAL A 46 5.203 -8.122 23.334 1.00 11.02 N ATOM 688 CA VAL A 46 6.290 -8.655 24.147 1.00 13.10 C ATOM 689 C VAL A 46 7.573 -8.784 23.334 1.00 41.33 C ATOM 690 O VAL A 46 7.551 -8.891 22.108 1.00 34.03 O ATOM 691 CB VAL A 46 5.927 -10.030 24.739 1.00 71.43 C ATOM 692 CG1 VAL A 46 4.993 -9.871 25.928 1.00 64.43 C ATOM 693 CG2 VAL A 46 5.302 -10.918 23.674 1.00 21.52 C ATOM 0 H VAL A 46 5.054 -8.616 22.454 1.00 11.02 H new ATOM 0 HA VAL A 46 6.451 -7.949 24.962 1.00 13.10 H new ATOM 0 HB VAL A 46 6.841 -10.509 25.089 1.00 71.43 H new ATOM 0 HG11 VAL A 46 4.748 -10.853 26.332 1.00 64.43 H new ATOM 0 HG12 VAL A 46 5.482 -9.274 26.697 1.00 64.43 H new ATOM 0 HG13 VAL A 46 4.078 -9.372 25.608 1.00 64.43 H new ATOM 0 HG21 VAL A 46 5.051 -11.886 24.108 1.00 21.52 H new ATOM 0 HG22 VAL A 46 4.397 -10.446 23.292 1.00 21.52 H new ATOM 0 HG23 VAL A 46 6.010 -11.059 22.857 1.00 21.52 H new ATOM 703 N PRO A 47 8.718 -8.776 24.031 1.00 12.13 N ATOM 704 CA PRO A 47 10.033 -8.894 23.394 1.00 2.21 C ATOM 705 C PRO A 47 10.278 -10.285 22.821 1.00 41.24 C ATOM 706 O PRO A 47 10.702 -10.430 21.674 1.00 33.23 O ATOM 707 CB PRO A 47 11.009 -8.608 24.538 1.00 32.44 C ATOM 708 CG PRO A 47 10.261 -8.975 25.774 1.00 60.01 C ATOM 709 CD PRO A 47 8.818 -8.654 25.495 1.00 52.01 C ATOM 0 HA PRO A 47 10.137 -8.216 22.547 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.921 -9.197 24.437 1.00 32.44 H new ATOM 0 HB3 PRO A 47 11.307 -7.560 24.552 1.00 32.44 H new ATOM 0 HG2 PRO A 47 10.388 -10.032 26.007 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.627 -8.413 26.633 1.00 60.01 H new ATOM 0 HD2 PRO A 47 8.147 -9.347 26.003 1.00 52.01 H new ATOM 0 HD3 PRO A 47 8.557 -7.651 25.833 1.00 52.01 H new ATOM 717 N VAL A 48 10.006 -11.308 23.625 1.00 62.33 N ATOM 718 CA VAL A 48 10.195 -12.689 23.197 1.00 40.41 C ATOM 719 C VAL A 48 8.857 -13.365 22.917 1.00 23.10 C ATOM 720 O VAL A 48 7.836 -13.011 23.504 1.00 71.24 O ATOM 721 CB VAL A 48 10.959 -13.506 24.256 1.00 11.01 C ATOM 722 CG1 VAL A 48 10.116 -13.675 25.511 1.00 61.40 C ATOM 723 CG2 VAL A 48 11.367 -14.858 23.692 1.00 30.33 C ATOM 0 H VAL A 48 9.654 -11.206 24.577 1.00 62.33 H new ATOM 0 HA VAL A 48 10.783 -12.658 22.280 1.00 40.41 H new ATOM 0 HB VAL A 48 11.864 -12.962 24.526 1.00 11.01 H new ATOM 0 HG11 VAL A 48 10.672 -14.255 26.248 1.00 61.40 H new ATOM 0 HG12 VAL A 48 9.879 -12.695 25.925 1.00 61.40 H new ATOM 0 HG13 VAL A 48 9.192 -14.197 25.261 1.00 61.40 H new ATOM 0 HG21 VAL A 48 11.906 -15.422 24.453 1.00 30.33 H new ATOM 0 HG22 VAL A 48 10.477 -15.411 23.393 1.00 30.33 H new ATOM 0 HG23 VAL A 48 12.011 -14.711 22.825 1.00 30.33 H new ATOM 733 N ASN A 49 8.872 -14.342 22.016 1.00 53.04 N ATOM 734 CA ASN A 49 7.659 -15.069 21.658 1.00 3.42 C ATOM 735 C ASN A 49 7.326 -16.123 22.709 1.00 15.14 C ATOM 736 O ASN A 49 7.281 -17.318 22.413 1.00 41.55 O ATOM 737 CB ASN A 49 7.823 -15.732 20.289 1.00 63.41 C ATOM 738 CG ASN A 49 7.884 -14.721 19.160 1.00 20.23 C ATOM 739 OD1 ASN A 49 7.295 -13.643 19.245 1.00 0.21 O ATOM 740 ND2 ASN A 49 8.596 -15.066 18.094 1.00 2.13 N ATOM 0 H ASN A 49 9.710 -14.648 21.521 1.00 53.04 H new ATOM 0 HA ASN A 49 6.837 -14.355 21.613 1.00 3.42 H new ATOM 0 HB2 ASN A 49 8.733 -16.332 20.286 1.00 63.41 H new ATOM 0 HB3 ASN A 49 6.991 -16.415 20.117 1.00 63.41 H new ATOM 0 HD21 ASN A 49 8.671 -14.427 17.302 1.00 2.13 H new ATOM 0 HD22 ASN A 49 9.068 -15.970 18.067 1.00 2.13 H new ATOM 747 N SER A 50 7.094 -15.673 23.938 1.00 44.25 N ATOM 748 CA SER A 50 6.768 -16.577 25.035 1.00 32.14 C ATOM 749 C SER A 50 5.326 -17.063 24.927 1.00 64.13 C ATOM 750 O SER A 50 4.655 -16.838 23.920 1.00 43.22 O ATOM 751 CB SER A 50 6.984 -15.881 26.379 1.00 24.20 C ATOM 752 OG SER A 50 6.991 -16.817 27.443 1.00 2.44 O ATOM 0 H SER A 50 7.126 -14.688 24.199 1.00 44.25 H new ATOM 0 HA SER A 50 7.430 -17.440 24.971 1.00 32.14 H new ATOM 0 HB2 SER A 50 7.929 -15.337 26.363 1.00 24.20 H new ATOM 0 HB3 SER A 50 6.196 -15.146 26.542 1.00 24.20 H new ATOM 0 HG SER A 50 7.916 -17.014 27.699 1.00 2.44 H new ATOM 758 N THR A 51 4.854 -17.733 25.975 1.00 5.13 N ATOM 759 CA THR A 51 3.492 -18.252 25.999 1.00 65.34 C ATOM 760 C THR A 51 2.528 -17.237 26.602 1.00 50.11 C ATOM 761 O THR A 51 2.933 -16.349 27.351 1.00 60.11 O ATOM 762 CB THR A 51 3.407 -19.564 26.802 1.00 55.53 C ATOM 763 OG1 THR A 51 4.581 -19.725 27.606 1.00 72.33 O ATOM 764 CG2 THR A 51 3.257 -20.759 25.872 1.00 1.44 C ATOM 0 H THR A 51 5.395 -17.928 26.817 1.00 5.13 H new ATOM 0 HA THR A 51 3.209 -18.448 24.965 1.00 65.34 H new ATOM 0 HB THR A 51 2.530 -19.512 27.447 1.00 55.53 H new ATOM 0 HG1 THR A 51 4.620 -19.010 28.275 1.00 72.33 H new ATOM 0 HG21 THR A 51 3.199 -21.674 26.462 1.00 1.44 H new ATOM 0 HG22 THR A 51 2.347 -20.649 25.282 1.00 1.44 H new ATOM 0 HG23 THR A 51 4.117 -20.811 25.205 1.00 1.44 H new ATOM 772 N LEU A 52 1.248 -17.376 26.270 1.00 33.00 N ATOM 773 CA LEU A 52 0.224 -16.470 26.779 1.00 60.43 C ATOM 774 C LEU A 52 -0.829 -17.233 27.578 1.00 61.44 C ATOM 775 O LEU A 52 -1.385 -18.224 27.105 1.00 62.04 O ATOM 776 CB LEU A 52 -0.441 -15.720 25.625 1.00 25.32 C ATOM 777 CG LEU A 52 0.352 -14.551 25.039 1.00 24.22 C ATOM 778 CD1 LEU A 52 1.086 -14.982 23.778 1.00 0.43 C ATOM 779 CD2 LEU A 52 -0.569 -13.375 24.747 1.00 44.14 C ATOM 0 H LEU A 52 0.896 -18.106 25.651 1.00 33.00 H new ATOM 0 HA LEU A 52 0.707 -15.751 27.441 1.00 60.43 H new ATOM 0 HB2 LEU A 52 -0.645 -16.432 24.825 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -1.404 -15.343 25.970 1.00 25.32 H new ATOM 0 HG LEU A 52 1.092 -14.234 25.774 1.00 24.22 H new ATOM 0 HD11 LEU A 52 1.645 -14.137 23.375 1.00 0.43 H new ATOM 0 HD12 LEU A 52 1.775 -15.792 24.017 1.00 0.43 H new ATOM 0 HD13 LEU A 52 0.365 -15.326 23.037 1.00 0.43 H new ATOM 0 HD21 LEU A 52 0.012 -12.552 24.331 1.00 44.14 H new ATOM 0 HD22 LEU A 52 -1.332 -13.679 24.030 1.00 44.14 H new ATOM 0 HD23 LEU A 52 -1.048 -13.050 25.671 1.00 44.14 H new ATOM 791 N LYS A 53 -1.098 -16.764 28.791 1.00 74.15 N ATOM 792 CA LYS A 53 -2.085 -17.398 29.656 1.00 74.21 C ATOM 793 C LYS A 53 -3.405 -16.632 29.628 1.00 31.10 C ATOM 794 O LYS A 53 -3.446 -15.437 29.926 1.00 13.00 O ATOM 795 CB LYS A 53 -1.561 -17.479 31.091 1.00 14.13 C ATOM 796 CG LYS A 53 -2.607 -17.925 32.097 1.00 13.04 C ATOM 797 CD LYS A 53 -1.975 -18.329 33.418 1.00 71.31 C ATOM 798 CE LYS A 53 -3.007 -18.395 34.534 1.00 44.24 C ATOM 799 NZ LYS A 53 -2.487 -19.115 35.729 1.00 24.22 N1+ ATOM 0 H LYS A 53 -0.645 -15.946 29.198 1.00 74.15 H new ATOM 0 HA LYS A 53 -2.262 -18.407 29.284 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.720 -18.172 31.123 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -1.180 -16.501 31.385 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -3.319 -17.117 32.265 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -3.169 -18.765 31.690 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -1.493 -19.300 33.309 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -1.196 -17.614 33.683 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -3.300 -17.384 34.818 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -3.904 -18.896 34.170 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -3.220 -19.138 36.466 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -2.231 -20.088 35.464 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -1.646 -18.623 36.092 1.00 24.22 H new ATOM 813 N ILE A 54 -4.479 -17.327 29.271 1.00 64.31 N ATOM 814 CA ILE A 54 -5.800 -16.711 29.208 1.00 34.23 C ATOM 815 C ILE A 54 -6.777 -17.410 30.147 1.00 24.45 C ATOM 816 O ILE A 54 -6.847 -18.639 30.189 1.00 52.53 O ATOM 817 CB ILE A 54 -6.368 -16.745 27.777 1.00 12.32 C ATOM 818 CG1 ILE A 54 -5.328 -16.229 26.779 1.00 50.32 C ATOM 819 CG2 ILE A 54 -7.644 -15.920 27.694 1.00 55.33 C ATOM 820 CD1 ILE A 54 -4.543 -17.331 26.102 1.00 73.40 C ATOM 0 H ILE A 54 -4.462 -18.316 29.021 1.00 64.31 H new ATOM 0 HA ILE A 54 -5.680 -15.673 29.519 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.608 -17.777 27.522 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -5.831 -15.632 26.018 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -4.635 -15.566 27.298 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -8.034 -15.954 26.677 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -8.386 -16.328 28.380 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -7.428 -14.887 27.966 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -3.825 -16.893 25.409 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -4.012 -17.914 26.854 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -5.226 -17.981 25.555 1.00 73.40 H new ATOM 832 N THR A 55 -7.534 -16.617 30.900 1.00 53.10 N ATOM 833 CA THR A 55 -8.508 -17.158 31.839 1.00 62.11 C ATOM 834 C THR A 55 -9.736 -16.260 31.936 1.00 50.41 C ATOM 835 O THR A 55 -9.622 -15.035 31.940 1.00 11.34 O ATOM 836 CB THR A 55 -7.900 -17.330 33.245 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.674 -16.047 33.840 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.591 -18.100 33.176 1.00 13.32 C ATOM 0 H THR A 55 -7.491 -15.598 30.877 1.00 53.10 H new ATOM 0 HA THR A 55 -8.804 -18.135 31.458 1.00 62.11 H new ATOM 0 HB THR A 55 -8.604 -17.895 33.856 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.289 -16.164 34.734 1.00 12.50 H new ATOM 0 HG21 THR A 55 -6.180 -18.209 34.180 1.00 13.32 H new ATOM 0 HG22 THR A 55 -6.771 -19.086 32.748 1.00 13.32 H new ATOM 0 HG23 THR A 55 -5.882 -17.557 32.551 1.00 13.32 H new ATOM 846 N TYR A 56 -10.910 -16.878 32.014 1.00 11.42 N ATOM 847 CA TYR A 56 -12.160 -16.134 32.109 1.00 11.02 C ATOM 848 C TYR A 56 -13.076 -16.739 33.168 1.00 62.40 C ATOM 849 O TYR A 56 -13.442 -17.911 33.091 1.00 41.44 O ATOM 850 CB TYR A 56 -12.871 -16.117 30.754 1.00 44.12 C ATOM 851 CG TYR A 56 -14.108 -15.249 30.731 1.00 65.43 C ATOM 852 CD1 TYR A 56 -14.105 -13.983 31.306 1.00 22.43 C ATOM 853 CD2 TYR A 56 -15.283 -15.693 30.136 1.00 4.15 C ATOM 854 CE1 TYR A 56 -15.233 -13.186 31.289 1.00 32.34 C ATOM 855 CE2 TYR A 56 -16.416 -14.902 30.112 1.00 41.03 C ATOM 856 CZ TYR A 56 -16.386 -13.650 30.690 1.00 31.42 C ATOM 857 OH TYR A 56 -17.513 -12.861 30.669 1.00 41.25 O ATOM 0 H TYR A 56 -11.022 -17.892 32.013 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.923 -15.111 32.402 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.175 -15.764 29.992 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.148 -17.137 30.485 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -13.204 -13.616 31.775 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -15.311 -16.674 29.684 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -15.213 -12.206 31.742 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -17.320 -15.262 29.643 1.00 41.03 H new ATOM 0 HH TYR A 56 -17.394 -12.138 30.018 1.00 41.25 H new ATOM 867 N ILE A 57 -13.440 -15.930 34.157 1.00 62.21 N ATOM 868 CA ILE A 57 -14.313 -16.383 35.232 1.00 35.22 C ATOM 869 C ILE A 57 -15.566 -17.051 34.677 1.00 41.02 C ATOM 870 O ILE A 57 -16.369 -16.418 33.992 1.00 74.23 O ATOM 871 CB ILE A 57 -14.730 -15.218 36.149 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.721 -15.703 37.209 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.334 -14.089 35.329 1.00 21.35 C ATOM 874 CD1 ILE A 57 -15.851 -14.766 38.389 1.00 34.03 C ATOM 0 H ILE A 57 -13.144 -14.957 34.236 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.745 -17.108 35.815 1.00 35.22 H new ATOM 0 HB ILE A 57 -13.843 -14.839 36.656 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.700 -15.831 36.748 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -15.407 -16.683 37.567 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.624 -13.273 35.991 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.599 -13.729 34.609 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.213 -14.455 34.798 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -16.570 -15.174 39.100 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -14.882 -14.657 38.875 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -16.195 -13.791 38.043 1.00 34.03 H new ATOM 886 N GLY A 58 -15.729 -18.336 34.979 1.00 41.22 N ATOM 887 CA GLY A 58 -16.889 -19.069 34.504 1.00 34.45 C ATOM 888 C GLY A 58 -16.513 -20.374 33.831 1.00 45.03 C ATOM 889 O GLY A 58 -17.057 -21.428 34.159 1.00 23.42 O ATOM 0 H GLY A 58 -15.079 -18.882 35.544 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.554 -19.275 35.343 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.445 -18.448 33.801 1.00 34.45 H new ATOM 893 N TYR A 59 -15.582 -20.304 32.887 1.00 61.23 N ATOM 894 CA TYR A 59 -15.137 -21.490 32.163 1.00 30.13 C ATOM 895 C TYR A 59 -13.715 -21.870 32.561 1.00 1.25 C ATOM 896 O TYR A 59 -13.026 -21.115 33.248 1.00 60.34 O ATOM 897 CB TYR A 59 -15.209 -21.248 30.654 1.00 42.25 C ATOM 898 CG TYR A 59 -16.620 -21.199 30.116 1.00 43.24 C ATOM 899 CD1 TYR A 59 -17.068 -22.140 29.196 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.507 -20.210 30.524 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.357 -22.098 28.700 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.797 -20.161 30.035 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.218 -21.107 29.123 1.00 4.31 C ATOM 904 OH TYR A 59 -20.502 -21.061 28.633 1.00 24.41 O ATOM 0 H TYR A 59 -15.120 -19.439 32.605 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.800 -22.315 32.425 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.707 -20.309 30.421 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.661 -22.038 30.141 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.397 -22.918 28.863 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.181 -19.466 31.236 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.688 -22.837 27.985 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.473 -19.386 30.365 1.00 61.12 H new ATOM 0 HH TYR A 59 -20.978 -20.303 29.033 1.00 24.41 H new ATOM 914 N LYS A 60 -13.279 -23.047 32.124 1.00 52.23 N ATOM 915 CA LYS A 60 -11.938 -23.530 32.432 1.00 72.32 C ATOM 916 C LYS A 60 -10.878 -22.631 31.801 1.00 51.35 C ATOM 917 O LYS A 60 -11.134 -21.915 30.834 1.00 73.04 O ATOM 918 CB LYS A 60 -11.764 -24.967 31.936 1.00 13.13 C ATOM 919 CG LYS A 60 -12.306 -26.012 32.897 1.00 75.30 C ATOM 920 CD LYS A 60 -11.507 -27.302 32.825 1.00 4.44 C ATOM 921 CE LYS A 60 -12.245 -28.451 33.494 1.00 2.10 C ATOM 922 NZ LYS A 60 -11.999 -28.489 34.963 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.836 -23.685 31.555 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.811 -23.508 33.514 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.267 -25.074 30.975 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.705 -25.158 31.765 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -12.278 -25.622 33.914 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -13.351 -26.216 32.663 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -11.310 -27.552 31.782 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -10.540 -27.160 33.307 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -13.314 -28.353 33.307 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -11.929 -29.394 33.048 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -12.519 -29.286 35.382 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -10.981 -28.608 35.142 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -12.324 -27.599 35.393 1.00 3.41 H new ATOM 936 N PRO A 61 -9.660 -22.670 32.360 1.00 20.42 N ATOM 937 CA PRO A 61 -8.536 -21.868 31.867 1.00 52.34 C ATOM 938 C PRO A 61 -8.036 -22.344 30.507 1.00 43.11 C ATOM 939 O PRO A 61 -8.322 -23.466 30.087 1.00 71.32 O ATOM 940 CB PRO A 61 -7.459 -22.072 32.934 1.00 12.55 C ATOM 941 CG PRO A 61 -7.784 -23.386 33.556 1.00 64.21 C ATOM 942 CD PRO A 61 -9.284 -23.503 33.515 1.00 62.33 C ATOM 0 HA PRO A 61 -8.815 -20.825 31.718 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.462 -22.079 32.494 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.476 -21.270 33.672 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.314 -24.204 33.010 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.416 -23.434 34.581 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.603 -24.537 33.385 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.741 -23.142 34.437 1.00 62.33 H new ATOM 950 N VAL A 62 -7.288 -21.485 29.822 1.00 41.12 N ATOM 951 CA VAL A 62 -6.747 -21.820 28.510 1.00 22.22 C ATOM 952 C VAL A 62 -5.433 -21.091 28.256 1.00 13.54 C ATOM 953 O VAL A 62 -5.321 -19.887 28.493 1.00 74.11 O ATOM 954 CB VAL A 62 -7.742 -21.469 27.387 1.00 23.31 C ATOM 955 CG1 VAL A 62 -9.051 -22.216 27.581 1.00 24.54 C ATOM 956 CG2 VAL A 62 -7.977 -19.967 27.334 1.00 33.21 C ATOM 0 H VAL A 62 -7.043 -20.552 30.154 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.569 -22.895 28.505 1.00 22.22 H new ATOM 0 HB VAL A 62 -7.313 -21.780 26.434 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -9.741 -21.955 26.778 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -8.863 -23.290 27.564 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -9.489 -21.940 28.540 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -8.682 -19.737 26.535 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -8.385 -19.629 28.287 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -7.033 -19.458 27.142 1.00 33.21 H new ATOM 966 N THR A 63 -4.437 -21.828 27.771 1.00 11.33 N ATOM 967 CA THR A 63 -3.129 -21.252 27.486 1.00 11.40 C ATOM 968 C THR A 63 -2.695 -21.557 26.057 1.00 54.21 C ATOM 969 O THR A 63 -2.951 -22.645 25.538 1.00 35.44 O ATOM 970 CB THR A 63 -2.059 -21.779 28.460 1.00 13.53 C ATOM 971 OG1 THR A 63 -2.109 -23.209 28.516 1.00 22.11 O ATOM 972 CG2 THR A 63 -2.265 -21.204 29.853 1.00 60.11 C ATOM 0 H THR A 63 -4.512 -22.825 27.568 1.00 11.33 H new ATOM 0 HA THR A 63 -3.223 -20.173 27.612 1.00 11.40 H new ATOM 0 HB THR A 63 -1.081 -21.464 28.096 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.424 -23.536 29.136 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.497 -21.591 30.523 1.00 60.11 H new ATOM 0 HG22 THR A 63 -2.197 -20.117 29.812 1.00 60.11 H new ATOM 0 HG23 THR A 63 -3.249 -21.492 30.224 1.00 60.11 H new ATOM 980 N VAL A 64 -2.035 -20.593 25.424 1.00 54.51 N ATOM 981 CA VAL A 64 -1.563 -20.759 24.055 1.00 53.21 C ATOM 982 C VAL A 64 -0.314 -19.924 23.799 1.00 13.32 C ATOM 983 O VAL A 64 -0.114 -18.879 24.419 1.00 10.04 O ATOM 984 CB VAL A 64 -2.649 -20.366 23.035 1.00 74.21 C ATOM 985 CG1 VAL A 64 -3.830 -21.321 23.118 1.00 21.00 C ATOM 986 CG2 VAL A 64 -3.096 -18.931 23.261 1.00 14.45 C ATOM 0 H VAL A 64 -1.815 -19.687 25.838 1.00 54.51 H new ATOM 0 HA VAL A 64 -1.322 -21.815 23.929 1.00 53.21 H new ATOM 0 HB VAL A 64 -2.226 -20.437 22.033 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -4.587 -21.028 22.390 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -3.494 -22.335 22.903 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -4.257 -21.285 24.120 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -3.863 -18.670 22.532 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -3.502 -18.831 24.267 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -2.243 -18.262 23.146 1.00 14.45 H new ATOM 996 N LYS A 65 0.525 -20.390 22.881 1.00 23.50 N ATOM 997 CA LYS A 65 1.755 -19.686 22.539 1.00 33.44 C ATOM 998 C LYS A 65 1.457 -18.443 21.706 1.00 51.13 C ATOM 999 O LYS A 65 0.413 -18.352 21.061 1.00 14.12 O ATOM 1000 CB LYS A 65 2.701 -20.613 21.772 1.00 53.40 C ATOM 1001 CG LYS A 65 4.078 -20.016 21.537 1.00 44.43 C ATOM 1002 CD LYS A 65 5.101 -21.089 21.202 1.00 43.14 C ATOM 1003 CE LYS A 65 5.138 -21.378 19.709 1.00 1.42 C ATOM 1004 NZ LYS A 65 6.254 -22.294 19.348 1.00 70.32 N1+ ATOM 0 H LYS A 65 0.375 -21.254 22.360 1.00 23.50 H new ATOM 0 HA LYS A 65 2.235 -19.374 23.466 1.00 33.44 H new ATOM 0 HB2 LYS A 65 2.808 -21.547 22.324 1.00 53.40 H new ATOM 0 HB3 LYS A 65 2.253 -20.861 20.810 1.00 53.40 H new ATOM 0 HG2 LYS A 65 4.028 -19.293 20.723 1.00 44.43 H new ATOM 0 HG3 LYS A 65 4.397 -19.473 22.427 1.00 44.43 H new ATOM 0 HD2 LYS A 65 6.088 -20.769 21.536 1.00 43.14 H new ATOM 0 HD3 LYS A 65 4.862 -22.003 21.745 1.00 43.14 H new ATOM 0 HE2 LYS A 65 4.191 -21.821 19.402 1.00 1.42 H new ATOM 0 HE3 LYS A 65 5.245 -20.442 19.161 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 6.244 -22.466 18.322 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 7.160 -21.861 19.618 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 6.139 -23.197 19.851 1.00 70.32 H new ATOM 1018 N ALA A 66 2.382 -17.489 21.723 1.00 25.33 N ATOM 1019 CA ALA A 66 2.220 -16.254 20.967 1.00 72.41 C ATOM 1020 C ALA A 66 2.357 -16.505 19.469 1.00 62.14 C ATOM 1021 O ALA A 66 3.273 -17.199 19.028 1.00 13.22 O ATOM 1022 CB ALA A 66 3.236 -15.218 21.425 1.00 71.52 C ATOM 0 H ALA A 66 3.252 -17.548 22.253 1.00 25.33 H new ATOM 0 HA ALA A 66 1.217 -15.871 21.155 1.00 72.41 H new ATOM 0 HB1 ALA A 66 3.104 -14.300 20.852 1.00 71.52 H new ATOM 0 HB2 ALA A 66 3.089 -15.008 22.485 1.00 71.52 H new ATOM 0 HB3 ALA A 66 4.244 -15.602 21.267 1.00 71.52 H new ATOM 1028 N ALA A 67 1.441 -15.937 18.692 1.00 60.43 N ATOM 1029 CA ALA A 67 1.460 -16.099 17.244 1.00 33.34 C ATOM 1030 C ALA A 67 0.562 -15.072 16.565 1.00 63.13 C ATOM 1031 O ALA A 67 -0.306 -14.475 17.201 1.00 55.04 O ATOM 1032 CB ALA A 67 1.032 -17.509 16.865 1.00 32.31 C ATOM 0 H ALA A 67 0.676 -15.360 19.042 1.00 60.43 H new ATOM 0 HA ALA A 67 2.481 -15.935 16.899 1.00 33.34 H new ATOM 0 HB1 ALA A 67 1.051 -17.616 15.780 1.00 32.31 H new ATOM 0 HB2 ALA A 67 1.716 -18.230 17.313 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.022 -17.693 17.230 1.00 32.31 H new ATOM 1038 N ALA A 68 0.776 -14.869 15.269 1.00 60.23 N ATOM 1039 CA ALA A 68 -0.015 -13.914 14.503 1.00 73.13 C ATOM 1040 C ALA A 68 -1.507 -14.166 14.687 1.00 2.42 C ATOM 1041 O ALA A 68 -2.294 -13.226 14.808 1.00 53.41 O ATOM 1042 CB ALA A 68 0.357 -13.982 13.029 1.00 13.31 C ATOM 0 H ALA A 68 1.491 -15.354 14.727 1.00 60.23 H new ATOM 0 HA ALA A 68 0.207 -12.914 14.876 1.00 73.13 H new ATOM 0 HB1 ALA A 68 -0.242 -13.263 12.469 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.414 -13.745 12.909 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.165 -14.986 12.651 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.890 -15.437 14.707 1.00 72.31 N ATOM 1049 CA ILE A 69 -3.289 -15.811 14.876 1.00 43.13 C ATOM 1050 C ILE A 69 -3.425 -17.038 15.771 1.00 23.51 C ATOM 1051 O ILE A 69 -3.033 -18.142 15.395 1.00 14.30 O ATOM 1052 CB ILE A 69 -3.963 -16.101 13.522 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.867 -14.877 12.608 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.416 -16.501 13.728 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -4.485 -15.091 11.245 1.00 23.11 C ATOM 0 H ILE A 69 -1.251 -16.226 14.608 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.787 -14.963 15.346 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.442 -16.931 13.044 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -4.358 -14.033 13.092 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -2.818 -14.608 12.484 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.878 -16.703 12.762 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.462 -17.397 14.347 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -5.950 -15.690 14.224 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -4.380 -14.183 10.651 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -3.979 -15.914 10.741 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -5.542 -15.331 11.358 1.00 23.11 H new ATOM 1067 N VAL A 70 -3.986 -16.837 16.960 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.177 -17.927 17.909 1.00 74.42 C ATOM 1069 C VAL A 70 -5.641 -18.047 18.320 1.00 52.51 C ATOM 1070 O VAL A 70 -6.179 -17.174 18.999 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.316 -17.731 19.170 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -3.364 -18.972 20.048 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -1.883 -17.394 18.789 1.00 74.33 C ATOM 0 H VAL A 70 -4.316 -15.929 17.288 1.00 42.53 H new ATOM 0 HA VAL A 70 -3.867 -18.843 17.406 1.00 74.42 H new ATOM 0 HB VAL A 70 -3.723 -16.896 19.740 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -2.749 -18.815 20.934 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -4.394 -19.165 20.350 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -2.983 -19.827 19.490 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -1.288 -17.259 19.693 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -1.463 -18.207 18.197 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -1.869 -16.474 18.204 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.279 -19.136 17.905 1.00 53.23 N ATOM 1084 CA ASN A 71 -7.681 -19.371 18.230 1.00 11.52 C ATOM 1085 C ASN A 71 -7.813 -20.280 19.448 1.00 55.40 C ATOM 1086 O ASN A 71 -7.399 -21.440 19.420 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.406 -19.994 17.036 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.696 -18.983 15.943 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -8.370 -19.201 14.777 1.00 10.31 O ATOM 1090 ND2 ASN A 71 -9.312 -17.867 16.319 1.00 50.40 N ATOM 0 H ASN A 71 -5.848 -19.870 17.343 1.00 53.23 H new ATOM 0 HA ASN A 71 -8.139 -18.410 18.464 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -7.799 -20.802 16.628 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.342 -20.438 17.374 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -9.533 -17.149 15.629 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -9.564 -17.728 17.298 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.391 -19.746 20.519 1.00 51.53 N ATOM 1098 CA VAL A 72 -8.578 -20.508 21.748 1.00 24.20 C ATOM 1099 C VAL A 72 -10.059 -20.715 22.046 1.00 31.43 C ATOM 1100 O VAL A 72 -10.895 -19.875 21.708 1.00 20.30 O ATOM 1101 CB VAL A 72 -7.917 -19.808 22.949 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -7.973 -20.696 24.183 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.482 -19.427 22.621 1.00 24.11 C ATOM 0 H VAL A 72 -8.738 -18.788 20.560 1.00 51.53 H new ATOM 0 HA VAL A 72 -8.102 -21.477 21.595 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.471 -18.894 23.163 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.501 -20.184 25.021 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.013 -20.912 24.429 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -7.446 -21.629 23.984 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -6.031 -18.933 23.482 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -5.914 -20.325 22.378 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.472 -18.749 21.767 1.00 24.11 H new ATOM 1113 N LEU A 73 -10.378 -21.838 22.680 1.00 10.54 N ATOM 1114 CA LEU A 73 -11.759 -22.155 23.025 1.00 72.02 C ATOM 1115 C LEU A 73 -11.916 -22.342 24.530 1.00 3.23 C ATOM 1116 O LEU A 73 -11.064 -22.947 25.184 1.00 44.43 O ATOM 1117 CB LEU A 73 -12.210 -23.421 22.293 1.00 3.23 C ATOM 1118 CG LEU A 73 -11.372 -24.675 22.541 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -12.255 -25.913 22.556 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -10.283 -24.806 21.486 1.00 64.32 C ATOM 0 H LEU A 73 -9.699 -22.544 22.965 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.386 -21.319 22.714 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -13.240 -23.634 22.579 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -12.212 -23.216 21.222 1.00 3.23 H new ATOM 0 HG LEU A 73 -10.895 -24.583 23.517 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -11.641 -26.796 22.734 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -12.997 -25.821 23.349 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -12.761 -26.011 21.596 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -9.696 -25.704 21.678 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -10.739 -24.875 20.499 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -9.632 -23.932 21.524 1.00 64.32 H new ATOM 1132 N LEU A 74 -13.010 -21.823 25.075 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.280 -21.935 26.504 1.00 22.25 C ATOM 1134 C LEU A 74 -14.100 -23.185 26.808 1.00 10.24 C ATOM 1135 O LEU A 74 -15.195 -23.364 26.276 1.00 22.34 O ATOM 1136 CB LEU A 74 -14.021 -20.692 27.002 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.359 -19.932 28.152 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -11.926 -19.566 27.797 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.160 -18.685 28.498 1.00 34.41 C ATOM 0 H LEU A 74 -13.725 -21.320 24.549 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.325 -22.014 27.023 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -14.144 -20.007 26.163 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -15.020 -20.992 27.318 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.339 -20.582 29.027 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.472 -19.026 28.628 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.357 -20.474 27.600 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -11.921 -18.935 26.908 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.674 -18.157 29.318 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.212 -18.033 27.626 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.168 -18.972 28.797 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.562 -24.044 27.668 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.246 -25.277 28.043 1.00 73.42 C ATOM 1153 C GLU A 75 -15.127 -25.058 29.269 1.00 44.11 C ATOM 1154 O GLU A 75 -14.754 -24.338 30.194 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.229 -26.385 28.323 1.00 3.14 C ATOM 1156 CG GLU A 75 -12.410 -26.782 27.107 1.00 21.34 C ATOM 1157 CD GLU A 75 -12.029 -28.249 27.113 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -11.894 -28.821 28.215 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -11.866 -28.826 26.018 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.656 -23.910 28.118 1.00 25.11 H new ATOM 0 HA GLU A 75 -14.881 -25.579 27.210 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -12.554 -26.056 29.113 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -13.755 -27.263 28.698 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -12.978 -26.562 26.203 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -11.505 -26.176 27.070 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.299 -25.686 29.268 1.00 14.42 N ATOM 1167 CA GLU A 76 -17.234 -25.559 30.378 1.00 55.40 C ATOM 1168 C GLU A 76 -16.597 -26.031 31.683 1.00 52.44 C ATOM 1169 O GLU A 76 -15.866 -27.022 31.707 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.505 -26.364 30.099 1.00 21.40 C ATOM 1171 CG GLU A 76 -19.030 -26.200 28.683 1.00 75.12 C ATOM 1172 CD GLU A 76 -20.436 -26.742 28.515 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -21.187 -26.761 29.513 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -20.787 -27.146 27.387 1.00 33.35 O1- ATOM 0 H GLU A 76 -16.623 -26.288 28.510 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.495 -24.506 30.480 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -18.304 -27.419 30.283 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.280 -26.059 30.802 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -19.018 -25.143 28.415 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -18.362 -26.712 27.990 1.00 75.12 H new ATOM 1181 N ASP A 77 -16.880 -25.315 32.765 1.00 24.14 N ATOM 1182 CA ASP A 77 -16.336 -25.660 34.074 1.00 14.13 C ATOM 1183 C ASP A 77 -17.456 -25.930 35.074 1.00 2.45 C ATOM 1184 O ASP A 77 -17.838 -25.052 35.848 1.00 35.31 O ATOM 1185 CB ASP A 77 -15.437 -24.535 34.588 1.00 0.41 C ATOM 1186 CG ASP A 77 -14.433 -25.020 35.616 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -14.655 -26.103 36.197 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -13.427 -24.316 35.840 1.00 33.42 O1- ATOM 0 H ASP A 77 -17.483 -24.492 32.762 1.00 24.14 H new ATOM 0 HA ASP A 77 -15.743 -26.568 33.966 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -14.905 -24.086 33.749 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -16.055 -23.753 35.029 1.00 0.41 H new ATOM 1193 N THR A 78 -17.979 -27.152 35.052 1.00 73.11 N ATOM 1194 CA THR A 78 -19.057 -27.539 35.955 1.00 32.45 C ATOM 1195 C THR A 78 -18.506 -28.134 37.246 1.00 35.21 C ATOM 1196 O THR A 78 -17.328 -28.485 37.324 1.00 74.43 O ATOM 1197 CB THR A 78 -20.003 -28.560 35.296 1.00 13.32 C ATOM 1198 OG1 THR A 78 -19.353 -29.831 35.188 1.00 10.33 O ATOM 1199 CG2 THR A 78 -20.434 -28.086 33.916 1.00 23.12 C ATOM 0 H THR A 78 -17.674 -27.891 34.419 1.00 73.11 H new ATOM 0 HA THR A 78 -19.616 -26.632 36.185 1.00 32.45 H new ATOM 0 HB THR A 78 -20.890 -28.658 35.922 1.00 13.32 H new ATOM 0 HG1 THR A 78 -19.962 -30.475 34.770 1.00 10.33 H new ATOM 0 HG21 THR A 78 -21.102 -28.823 33.470 1.00 23.12 H new ATOM 0 HG22 THR A 78 -20.954 -27.132 34.005 1.00 23.12 H new ATOM 0 HG23 THR A 78 -19.555 -27.962 33.283 1.00 23.12 H new ATOM 1207 N GLN A 79 -19.363 -28.243 38.255 1.00 71.11 N ATOM 1208 CA GLN A 79 -18.960 -28.796 39.543 1.00 23.05 C ATOM 1209 C GLN A 79 -18.346 -30.181 39.373 1.00 15.21 C ATOM 1210 O GLN A 79 -18.352 -30.743 38.278 1.00 62.32 O ATOM 1211 CB GLN A 79 -20.162 -28.869 40.488 1.00 33.22 C ATOM 1212 CG GLN A 79 -20.758 -27.511 40.822 1.00 21.24 C ATOM 1213 CD GLN A 79 -21.512 -27.512 42.137 1.00 23.50 C ATOM 1214 OE1 GLN A 79 -21.921 -28.564 42.629 1.00 74.23 O ATOM 1215 NE2 GLN A 79 -21.700 -26.331 42.712 1.00 4.20 N ATOM 0 H GLN A 79 -20.341 -27.956 38.206 1.00 71.11 H new ATOM 0 HA GLN A 79 -18.207 -28.136 39.974 1.00 23.05 H new ATOM 0 HB2 GLN A 79 -20.932 -29.493 40.035 1.00 33.22 H new ATOM 0 HB3 GLN A 79 -19.857 -29.360 41.412 1.00 33.22 H new ATOM 0 HG2 GLN A 79 -19.960 -26.769 40.865 1.00 21.24 H new ATOM 0 HG3 GLN A 79 -21.432 -27.208 40.021 1.00 21.24 H new ATOM 0 HE21 GLN A 79 -21.343 -25.485 42.268 1.00 4.20 H new ATOM 0 HE22 GLN A 79 -22.201 -26.269 43.598 1.00 4.20 H new ATOM 1224 N MET A 80 -17.816 -30.726 40.463 1.00 10.55 N ATOM 1225 CA MET A 80 -17.199 -32.047 40.434 1.00 33.12 C ATOM 1226 C MET A 80 -18.174 -33.092 39.901 1.00 54.10 C ATOM 1227 O MET A 80 -19.358 -32.811 39.711 1.00 32.25 O ATOM 1228 CB MET A 80 -16.725 -32.443 41.833 1.00 43.24 C ATOM 1229 CG MET A 80 -15.482 -33.318 41.829 1.00 33.52 C ATOM 1230 SD MET A 80 -14.566 -33.231 43.379 1.00 41.55 S ATOM 1231 CE MET A 80 -13.550 -31.784 43.092 1.00 74.23 C ATOM 0 H MET A 80 -17.801 -30.274 41.377 1.00 10.55 H new ATOM 0 HA MET A 80 -16.339 -32.003 39.765 1.00 33.12 H new ATOM 0 HB2 MET A 80 -16.521 -31.540 42.408 1.00 43.24 H new ATOM 0 HB3 MET A 80 -17.530 -32.972 42.344 1.00 43.24 H new ATOM 0 HG2 MET A 80 -15.771 -34.352 41.640 1.00 33.52 H new ATOM 0 HG3 MET A 80 -14.831 -33.014 41.009 1.00 33.52 H new ATOM 0 HE1 MET A 80 -12.924 -31.600 43.965 1.00 74.23 H new ATOM 0 HE2 MET A 80 -12.917 -31.951 42.221 1.00 74.23 H new ATOM 0 HE3 MET A 80 -14.190 -30.919 42.915 1.00 74.23 H new ATOM 1241 N VAL A 81 -17.670 -34.297 39.659 1.00 0.53 N ATOM 1242 CA VAL A 81 -18.496 -35.384 39.148 1.00 1.25 C ATOM 1243 C VAL A 81 -18.765 -36.425 40.228 1.00 62.43 C ATOM 1244 O VAL A 81 -19.847 -37.007 40.288 1.00 3.11 O ATOM 1245 CB VAL A 81 -17.834 -36.072 37.939 1.00 44.13 C ATOM 1246 CG1 VAL A 81 -17.723 -35.107 36.769 1.00 72.15 C ATOM 1247 CG2 VAL A 81 -16.467 -36.620 38.321 1.00 54.24 C ATOM 0 H VAL A 81 -16.692 -34.546 39.809 1.00 0.53 H new ATOM 0 HA VAL A 81 -19.441 -34.942 38.832 1.00 1.25 H new ATOM 0 HB VAL A 81 -18.462 -36.908 37.630 1.00 44.13 H new ATOM 0 HG11 VAL A 81 -17.253 -35.611 35.925 1.00 72.15 H new ATOM 0 HG12 VAL A 81 -18.718 -34.768 36.481 1.00 72.15 H new ATOM 0 HG13 VAL A 81 -17.118 -34.249 37.061 1.00 72.15 H new ATOM 0 HG21 VAL A 81 -16.014 -37.103 37.455 1.00 54.24 H new ATOM 0 HG22 VAL A 81 -15.828 -35.803 38.657 1.00 54.24 H new ATOM 0 HG23 VAL A 81 -16.578 -37.347 39.125 1.00 54.24 H new ATOM 1257 N ASP A 82 -17.771 -36.655 41.079 1.00 21.33 N ATOM 1258 CA ASP A 82 -17.900 -37.626 42.160 1.00 52.35 C ATOM 1259 C ASP A 82 -18.258 -36.934 43.472 1.00 42.13 C ATOM 1260 O ASP A 82 -17.798 -37.336 44.541 1.00 40.40 O ATOM 1261 CB ASP A 82 -16.599 -38.415 42.323 1.00 62.52 C ATOM 1262 CG ASP A 82 -16.835 -39.817 42.851 1.00 35.32 C ATOM 1263 OD1 ASP A 82 -15.843 -40.542 43.069 1.00 1.15 O ATOM 1264 OD2 ASP A 82 -18.011 -40.187 43.045 1.00 1.31 O1- ATOM 0 H ASP A 82 -16.868 -36.183 41.041 1.00 21.33 H new ATOM 0 HA ASP A 82 -18.704 -38.315 41.903 1.00 52.35 H new ATOM 0 HB2 ASP A 82 -16.090 -38.473 41.361 1.00 62.52 H new ATOM 0 HB3 ASP A 82 -15.936 -37.880 43.003 1.00 62.52 H new ATOM 1269 N GLU A 83 -19.079 -35.893 43.381 1.00 63.12 N ATOM 1270 CA GLU A 83 -19.497 -35.146 44.562 1.00 23.02 C ATOM 1271 C GLU A 83 -20.710 -35.797 45.218 1.00 10.51 C ATOM 1272 O GLU A 83 -21.850 -35.550 44.825 1.00 50.40 O ATOM 1273 CB GLU A 83 -19.821 -33.698 44.187 1.00 13.42 C ATOM 1274 CG GLU A 83 -20.239 -32.843 45.371 1.00 3.23 C ATOM 1275 CD GLU A 83 -20.103 -31.358 45.095 1.00 12.23 C ATOM 1276 OE1 GLU A 83 -20.665 -30.556 45.871 1.00 44.23 O ATOM 1277 OE2 GLU A 83 -19.435 -30.997 44.104 1.00 64.43 O1- ATOM 0 H GLU A 83 -19.468 -35.548 42.503 1.00 63.12 H new ATOM 0 HA GLU A 83 -18.673 -35.154 45.276 1.00 23.02 H new ATOM 0 HB2 GLU A 83 -18.947 -33.249 43.716 1.00 13.42 H new ATOM 0 HB3 GLU A 83 -20.620 -33.693 43.446 1.00 13.42 H new ATOM 0 HG2 GLU A 83 -21.274 -33.067 45.629 1.00 3.23 H new ATOM 0 HG3 GLU A 83 -19.631 -33.105 46.237 1.00 3.23 H new ATOM 1284 N VAL A 84 -20.456 -36.633 46.221 1.00 23.40 N ATOM 1285 CA VAL A 84 -21.527 -37.321 46.932 1.00 2.42 C ATOM 1286 C VAL A 84 -21.994 -36.511 48.137 1.00 11.52 C ATOM 1287 O VAL A 84 -21.711 -36.862 49.282 1.00 34.13 O ATOM 1288 CB VAL A 84 -21.079 -38.715 47.408 1.00 24.22 C ATOM 1289 CG1 VAL A 84 -22.233 -39.450 48.072 1.00 14.11 C ATOM 1290 CG2 VAL A 84 -20.523 -39.521 46.244 1.00 53.25 C ATOM 0 H VAL A 84 -19.518 -36.850 46.559 1.00 23.40 H new ATOM 0 HA VAL A 84 -22.353 -37.433 46.230 1.00 2.42 H new ATOM 0 HB VAL A 84 -20.287 -38.590 48.146 1.00 24.22 H new ATOM 0 HG11 VAL A 84 -21.897 -40.433 48.402 1.00 14.11 H new ATOM 0 HG12 VAL A 84 -22.582 -38.878 48.932 1.00 14.11 H new ATOM 0 HG13 VAL A 84 -23.049 -39.566 47.359 1.00 14.11 H new ATOM 0 HG21 VAL A 84 -20.211 -40.504 46.598 1.00 53.25 H new ATOM 0 HG22 VAL A 84 -21.293 -39.638 45.481 1.00 53.25 H new ATOM 0 HG23 VAL A 84 -19.666 -39.000 45.817 1.00 53.25 H new ATOM 1300 N VAL A 85 -22.713 -35.425 47.870 1.00 23.03 N ATOM 1301 CA VAL A 85 -23.223 -34.566 48.931 1.00 53.43 C ATOM 1302 C VAL A 85 -24.680 -34.884 49.246 1.00 23.44 C ATOM 1303 O VAL A 85 -25.454 -35.242 48.358 1.00 52.44 O ATOM 1304 CB VAL A 85 -23.105 -33.077 48.554 1.00 31.15 C ATOM 1305 CG1 VAL A 85 -24.012 -32.751 47.378 1.00 62.05 C ATOM 1306 CG2 VAL A 85 -23.431 -32.196 49.751 1.00 13.25 C ATOM 0 H VAL A 85 -22.955 -35.120 46.927 1.00 23.03 H new ATOM 0 HA VAL A 85 -22.613 -34.760 49.813 1.00 53.43 H new ATOM 0 HB VAL A 85 -22.076 -32.876 48.255 1.00 31.15 H new ATOM 0 HG11 VAL A 85 -23.915 -31.695 47.126 1.00 62.05 H new ATOM 0 HG12 VAL A 85 -23.725 -33.357 46.519 1.00 62.05 H new ATOM 0 HG13 VAL A 85 -25.046 -32.967 47.645 1.00 62.05 H new ATOM 0 HG21 VAL A 85 -23.342 -31.148 49.466 1.00 13.25 H new ATOM 0 HG22 VAL A 85 -24.449 -32.397 50.084 1.00 13.25 H new ATOM 0 HG23 VAL A 85 -22.735 -32.412 50.562 1.00 13.25 H new ATOM 1316 N VAL A 86 -25.049 -34.752 50.516 1.00 13.51 N ATOM 1317 CA VAL A 86 -26.414 -35.025 50.948 1.00 11.22 C ATOM 1318 C VAL A 86 -27.418 -34.203 50.148 1.00 63.12 C ATOM 1319 O VAL A 86 -27.109 -33.107 49.680 1.00 25.30 O ATOM 1320 CB VAL A 86 -26.599 -34.724 52.447 1.00 50.12 C ATOM 1321 CG1 VAL A 86 -25.853 -35.744 53.293 1.00 3.22 C ATOM 1322 CG2 VAL A 86 -26.135 -33.311 52.768 1.00 73.01 C ATOM 0 H VAL A 86 -24.421 -34.457 51.264 1.00 13.51 H new ATOM 0 HA VAL A 86 -26.595 -36.085 50.773 1.00 11.22 H new ATOM 0 HB VAL A 86 -27.660 -34.796 52.686 1.00 50.12 H new ATOM 0 HG11 VAL A 86 -25.996 -35.515 54.349 1.00 3.22 H new ATOM 0 HG12 VAL A 86 -26.238 -36.742 53.083 1.00 3.22 H new ATOM 0 HG13 VAL A 86 -24.790 -35.707 53.054 1.00 3.22 H new ATOM 0 HG21 VAL A 86 -26.273 -33.115 53.831 1.00 73.01 H new ATOM 0 HG22 VAL A 86 -25.080 -33.208 52.514 1.00 73.01 H new ATOM 0 HG23 VAL A 86 -26.719 -32.596 52.189 1.00 73.01 H new ATOM 1332 N THR A 87 -28.625 -34.738 49.994 1.00 32.30 N ATOM 1333 CA THR A 87 -29.676 -34.055 49.250 1.00 63.34 C ATOM 1334 C THR A 87 -30.133 -32.794 49.975 1.00 32.24 C ATOM 1335 O THR A 87 -30.230 -32.772 51.202 1.00 11.13 O ATOM 1336 CB THR A 87 -30.892 -34.972 49.025 1.00 65.24 C ATOM 1337 OG1 THR A 87 -31.023 -35.891 50.116 1.00 1.23 O ATOM 1338 CG2 THR A 87 -30.755 -35.743 47.721 1.00 64.13 C ATOM 0 H THR A 87 -28.899 -35.643 50.375 1.00 32.30 H new ATOM 0 HA THR A 87 -29.252 -33.782 48.284 1.00 63.34 H new ATOM 0 HB THR A 87 -31.783 -34.347 48.968 1.00 65.24 H new ATOM 0 HG1 THR A 87 -31.800 -36.469 49.965 1.00 1.23 H new ATOM 0 HG21 THR A 87 -31.626 -36.384 47.584 1.00 64.13 H new ATOM 0 HG22 THR A 87 -30.686 -35.042 46.889 1.00 64.13 H new ATOM 0 HG23 THR A 87 -29.855 -36.357 47.754 1.00 64.13 H new ATOM 1346 N GLY A 88 -30.412 -31.744 49.209 1.00 61.42 N ATOM 1347 CA GLY A 88 -30.855 -30.494 49.797 1.00 23.00 C ATOM 1348 C GLY A 88 -30.575 -29.302 48.904 1.00 61.32 C ATOM 1349 O GLY A 88 -29.714 -28.476 49.211 1.00 11.31 O ATOM 0 H GLY A 88 -30.339 -31.737 48.192 1.00 61.42 H new ATOM 0 HA2 GLY A 88 -31.925 -30.550 49.998 1.00 23.00 H new ATOM 0 HA3 GLY A 88 -30.357 -30.351 50.756 1.00 23.00 H new ATOM 1353 N TYR A 89 -31.302 -29.211 47.795 1.00 75.33 N ATOM 1354 CA TYR A 89 -31.123 -28.114 46.852 1.00 31.00 C ATOM 1355 C TYR A 89 -31.867 -26.867 47.321 1.00 2.11 C ATOM 1356 O TYR A 89 -33.009 -26.944 47.778 1.00 10.14 O ATOM 1357 CB TYR A 89 -31.615 -28.522 45.463 1.00 63.35 C ATOM 1358 CG TYR A 89 -31.136 -27.608 44.357 1.00 22.31 C ATOM 1359 CD1 TYR A 89 -31.837 -26.454 44.031 1.00 11.32 C ATOM 1360 CD2 TYR A 89 -29.984 -27.900 43.638 1.00 75.11 C ATOM 1361 CE1 TYR A 89 -31.404 -25.616 43.023 1.00 30.34 C ATOM 1362 CE2 TYR A 89 -29.542 -27.067 42.629 1.00 50.14 C ATOM 1363 CZ TYR A 89 -30.256 -25.926 42.324 1.00 73.01 C ATOM 1364 OH TYR A 89 -29.820 -25.096 41.318 1.00 13.23 O ATOM 0 H TYR A 89 -32.020 -29.884 47.528 1.00 75.33 H new ATOM 0 HA TYR A 89 -30.059 -27.883 46.800 1.00 31.00 H new ATOM 0 HB2 TYR A 89 -31.281 -29.538 45.253 1.00 63.35 H new ATOM 0 HB3 TYR A 89 -32.705 -28.538 45.463 1.00 63.35 H new ATOM 0 HD1 TYR A 89 -32.737 -26.208 44.576 1.00 11.32 H new ATOM 0 HD2 TYR A 89 -29.424 -28.794 43.872 1.00 75.11 H new ATOM 0 HE1 TYR A 89 -31.961 -24.722 42.783 1.00 30.34 H new ATOM 0 HE2 TYR A 89 -28.643 -27.307 42.082 1.00 50.14 H new ATOM 0 HH TYR A 89 -28.997 -25.459 40.928 1.00 13.23 H new ATOM 1374 N THR A 90 -31.212 -25.715 47.204 1.00 63.13 N ATOM 1375 CA THR A 90 -31.810 -24.451 47.616 1.00 73.03 C ATOM 1376 C THR A 90 -32.745 -23.909 46.541 1.00 22.02 C ATOM 1377 O THR A 90 -33.588 -23.054 46.810 1.00 3.25 O ATOM 1378 CB THR A 90 -30.732 -23.395 47.923 1.00 65.23 C ATOM 1379 OG1 THR A 90 -29.544 -24.033 48.403 1.00 50.24 O ATOM 1380 CG2 THR A 90 -31.231 -22.398 48.958 1.00 14.03 C ATOM 0 H THR A 90 -30.268 -25.632 46.827 1.00 63.13 H new ATOM 0 HA THR A 90 -32.381 -24.651 48.522 1.00 73.03 H new ATOM 0 HB THR A 90 -30.508 -22.858 47.001 1.00 65.23 H new ATOM 0 HG1 THR A 90 -28.863 -23.355 48.594 1.00 50.24 H new ATOM 0 HG21 THR A 90 -30.453 -21.662 49.159 1.00 14.03 H new ATOM 0 HG22 THR A 90 -32.119 -21.893 48.578 1.00 14.03 H new ATOM 0 HG23 THR A 90 -31.479 -22.924 49.880 1.00 14.03 H new TER 1388 THR A 90