USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 831 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 15 GLN : amide:sc= 0.295 K(o=0.29,f=-3.8!) USER MOD Set 1.2: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 HIS : no HD1:sc= -0.284 X(o=-0.43,f=-0.75) USER MOD Set 2.2: A 8 HIS : no HD1:sc= -0.149 X(o=-0.43,f=-0.84) USER MOD Single : A 1 MET CE :methyl 157:sc= -0.181 (180deg=-0.832) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.016) USER MOD Single : A 4 HIS : no HD1:sc= -0.0539 X(o=-0.054,f=0) USER MOD Single : A 5 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 MET CE :methyl 159:sc= -0.116 (180deg=-0.617) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -6.38! C(o=-6.4!,f=-7.6!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 42 THR OG1 : rot -97:sc= 1.01 USER MOD Single : A 45 GLN : amide:sc= -3.73! K(o=-3.7!,f=-2.3) USER MOD Single : A 47 GLN : amide:sc= -1.08 K(o=-1.1,f=-7.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -45:sc= 0.0541 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -119:sc= 0.0325 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0064 USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00884) USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= 0.892 (180deg=0.226) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 170:sc= 0.835 (180deg=0.667) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 86 GLN : amide:sc= 0.445 X(o=0.44,f=0) USER MOD Single : A 89 SER OG : rot 150:sc= 1.13 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.002) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -49.876 5.101 -2.801 1.00 42.33 N ATOM 2 CA MET A 1 -49.715 4.071 -3.849 1.00 64.05 C ATOM 3 C MET A 1 -49.026 4.670 -5.068 1.00 13.42 C ATOM 4 O MET A 1 -49.681 5.175 -5.985 1.00 71.30 O ATOM 5 CB MET A 1 -51.080 3.488 -4.246 1.00 34.21 C ATOM 6 CG MET A 1 -51.003 2.388 -5.303 1.00 22.10 C ATOM 7 SD MET A 1 -52.631 1.848 -5.869 1.00 51.33 S ATOM 8 CE MET A 1 -53.247 3.359 -6.615 1.00 62.53 C ATOM 0 H1 MET A 1 -50.347 4.683 -1.973 1.00 42.33 H new ATOM 0 H2 MET A 1 -48.941 5.462 -2.522 1.00 42.33 H new ATOM 0 H3 MET A 1 -50.453 5.884 -3.169 1.00 42.33 H new ATOM 0 HA MET A 1 -49.097 3.265 -3.452 1.00 64.05 H new ATOM 0 HB2 MET A 1 -51.566 3.089 -3.356 1.00 34.21 H new ATOM 0 HB3 MET A 1 -51.712 4.293 -4.620 1.00 34.21 H new ATOM 0 HG2 MET A 1 -50.428 2.749 -6.156 1.00 22.10 H new ATOM 0 HG3 MET A 1 -50.464 1.534 -4.894 1.00 22.10 H new ATOM 0 HE1 MET A 1 -54.019 3.116 -7.345 1.00 62.53 H new ATOM 0 HE2 MET A 1 -53.668 4.001 -5.842 1.00 62.53 H new ATOM 0 HE3 MET A 1 -52.428 3.879 -7.112 1.00 62.53 H new ATOM 20 N ALA A 2 -47.699 4.641 -5.058 1.00 15.35 N ATOM 21 CA ALA A 2 -46.907 5.164 -6.161 1.00 62.22 C ATOM 22 C ALA A 2 -45.592 4.403 -6.278 1.00 54.21 C ATOM 23 O ALA A 2 -44.665 4.617 -5.489 1.00 13.45 O ATOM 24 CB ALA A 2 -46.649 6.658 -5.976 1.00 15.21 C ATOM 0 H ALA A 2 -47.146 4.257 -4.291 1.00 15.35 H new ATOM 0 HA ALA A 2 -47.469 5.027 -7.085 1.00 62.22 H new ATOM 0 HB1 ALA A 2 -46.055 7.031 -6.811 1.00 15.21 H new ATOM 0 HB2 ALA A 2 -47.600 7.190 -5.941 1.00 15.21 H new ATOM 0 HB3 ALA A 2 -46.107 6.821 -5.044 1.00 15.21 H new ATOM 30 N HIS A 3 -45.525 3.505 -7.249 1.00 62.30 N ATOM 31 CA HIS A 3 -44.325 2.713 -7.501 1.00 61.24 C ATOM 32 C HIS A 3 -43.781 3.072 -8.880 1.00 75.23 C ATOM 33 O HIS A 3 -43.624 2.214 -9.751 1.00 31.12 O ATOM 34 CB HIS A 3 -44.649 1.211 -7.409 1.00 53.45 C ATOM 35 CG HIS A 3 -43.440 0.319 -7.373 1.00 10.41 C ATOM 36 ND1 HIS A 3 -42.829 -0.060 -6.199 1.00 44.13 N ATOM 37 CD2 HIS A 3 -42.743 -0.287 -8.366 1.00 54.24 C ATOM 38 CE1 HIS A 3 -41.812 -0.855 -6.468 1.00 44.22 C ATOM 39 NE2 HIS A 3 -41.737 -1.011 -7.775 1.00 52.33 N ATOM 0 H HIS A 3 -46.297 3.303 -7.884 1.00 62.30 H new ATOM 0 HA HIS A 3 -43.568 2.935 -6.749 1.00 61.24 H new ATOM 0 HB2 HIS A 3 -45.244 1.034 -6.513 1.00 53.45 H new ATOM 0 HB3 HIS A 3 -45.267 0.932 -8.262 1.00 53.45 H new ATOM 0 HD2 HIS A 3 -42.942 -0.214 -9.425 1.00 54.24 H new ATOM 0 HE1 HIS A 3 -41.152 -1.303 -5.740 1.00 44.22 H new ATOM 0 HE2 HIS A 3 -41.045 -1.577 -8.267 1.00 52.33 H new ATOM 48 N HIS A 4 -43.491 4.356 -9.068 1.00 45.44 N ATOM 49 CA HIS A 4 -43.081 4.873 -10.371 1.00 14.04 C ATOM 50 C HIS A 4 -41.592 4.614 -10.614 1.00 24.20 C ATOM 51 O HIS A 4 -40.793 5.540 -10.774 1.00 32.41 O ATOM 52 CB HIS A 4 -43.404 6.371 -10.475 1.00 31.14 C ATOM 53 CG HIS A 4 -43.335 6.907 -11.877 1.00 25.40 C ATOM 54 ND1 HIS A 4 -44.422 6.924 -12.726 1.00 41.35 N ATOM 55 CD2 HIS A 4 -42.307 7.446 -12.578 1.00 61.12 C ATOM 56 CE1 HIS A 4 -44.064 7.446 -13.883 1.00 25.52 C ATOM 57 NE2 HIS A 4 -42.788 7.770 -13.822 1.00 63.11 N ATOM 0 H HIS A 4 -43.532 5.061 -8.332 1.00 45.44 H new ATOM 0 HA HIS A 4 -43.641 4.348 -11.145 1.00 14.04 H new ATOM 0 HB2 HIS A 4 -44.403 6.547 -10.077 1.00 31.14 H new ATOM 0 HB3 HIS A 4 -42.708 6.928 -9.848 1.00 31.14 H new ATOM 0 HD2 HIS A 4 -41.298 7.593 -12.223 1.00 61.12 H new ATOM 0 HE1 HIS A 4 -44.709 7.585 -14.738 1.00 25.52 H new ATOM 0 HE2 HIS A 4 -42.246 8.192 -14.576 1.00 63.11 H new ATOM 66 N HIS A 5 -41.235 3.340 -10.621 1.00 43.15 N ATOM 67 CA HIS A 5 -39.876 2.902 -10.899 1.00 52.04 C ATOM 68 C HIS A 5 -39.949 1.553 -11.597 1.00 31.33 C ATOM 69 O HIS A 5 -39.716 0.506 -10.992 1.00 44.54 O ATOM 70 CB HIS A 5 -39.050 2.818 -9.603 1.00 13.13 C ATOM 71 CG HIS A 5 -37.618 2.418 -9.816 1.00 51.14 C ATOM 72 ND1 HIS A 5 -36.660 3.285 -10.300 1.00 45.22 N ATOM 73 CD2 HIS A 5 -36.981 1.241 -9.601 1.00 75.11 C ATOM 74 CE1 HIS A 5 -35.500 2.659 -10.375 1.00 22.22 C ATOM 75 NE2 HIS A 5 -35.667 1.419 -9.956 1.00 71.23 N ATOM 0 H HIS A 5 -41.884 2.576 -10.433 1.00 43.15 H new ATOM 0 HA HIS A 5 -39.375 3.623 -11.545 1.00 52.04 H new ATOM 0 HB2 HIS A 5 -39.076 3.787 -9.105 1.00 13.13 H new ATOM 0 HB3 HIS A 5 -39.521 2.101 -8.930 1.00 13.13 H new ATOM 0 HD2 HIS A 5 -37.425 0.333 -9.221 1.00 75.11 H new ATOM 0 HE1 HIS A 5 -34.572 3.089 -10.721 1.00 22.22 H new ATOM 0 HE2 HIS A 5 -34.938 0.708 -9.904 1.00 71.23 H new ATOM 84 N HIS A 6 -40.345 1.593 -12.862 1.00 45.44 N ATOM 85 CA HIS A 6 -40.592 0.386 -13.636 1.00 65.41 C ATOM 86 C HIS A 6 -39.531 0.229 -14.723 1.00 61.41 C ATOM 87 O HIS A 6 -39.523 0.970 -15.709 1.00 42.22 O ATOM 88 CB HIS A 6 -41.997 0.457 -14.257 1.00 63.14 C ATOM 89 CG HIS A 6 -42.457 -0.809 -14.915 1.00 1.11 C ATOM 90 ND1 HIS A 6 -43.729 -0.968 -15.416 1.00 42.22 N ATOM 91 CD2 HIS A 6 -41.816 -1.977 -15.155 1.00 65.43 C ATOM 92 CE1 HIS A 6 -43.849 -2.173 -15.933 1.00 42.01 C ATOM 93 NE2 HIS A 6 -42.702 -2.808 -15.789 1.00 73.25 N ATOM 0 H HIS A 6 -40.503 2.459 -13.378 1.00 45.44 H new ATOM 0 HA HIS A 6 -40.537 -0.483 -12.980 1.00 65.41 H new ATOM 0 HB2 HIS A 6 -42.710 0.725 -13.478 1.00 63.14 H new ATOM 0 HB3 HIS A 6 -42.013 1.260 -14.994 1.00 63.14 H new ATOM 0 HD2 HIS A 6 -40.794 -2.211 -14.895 1.00 65.43 H new ATOM 0 HE1 HIS A 6 -44.738 -2.574 -16.397 1.00 42.01 H new ATOM 0 HE2 HIS A 6 -42.507 -3.760 -16.098 1.00 73.25 H new ATOM 102 N HIS A 7 -38.629 -0.726 -14.530 1.00 41.25 N ATOM 103 CA HIS A 7 -37.573 -0.999 -15.500 1.00 71.21 C ATOM 104 C HIS A 7 -37.464 -2.501 -15.752 1.00 1.31 C ATOM 105 O HIS A 7 -37.172 -3.271 -14.835 1.00 43.01 O ATOM 106 CB HIS A 7 -36.233 -0.439 -15.000 1.00 4.24 C ATOM 107 CG HIS A 7 -35.103 -0.595 -15.980 1.00 51.54 C ATOM 108 ND1 HIS A 7 -34.907 0.259 -17.046 1.00 41.15 N ATOM 109 CD2 HIS A 7 -34.104 -1.509 -16.050 1.00 64.14 C ATOM 110 CE1 HIS A 7 -33.841 -0.122 -17.724 1.00 54.14 C ATOM 111 NE2 HIS A 7 -33.336 -1.192 -17.141 1.00 55.45 N ATOM 0 H HIS A 7 -38.607 -1.328 -13.707 1.00 41.25 H new ATOM 0 HA HIS A 7 -37.824 -0.507 -16.440 1.00 71.21 H new ATOM 0 HB2 HIS A 7 -36.356 0.619 -14.768 1.00 4.24 H new ATOM 0 HB3 HIS A 7 -35.966 -0.940 -14.070 1.00 4.24 H new ATOM 0 HD2 HIS A 7 -33.943 -2.334 -15.372 1.00 64.14 H new ATOM 0 HE1 HIS A 7 -33.448 0.361 -18.607 1.00 54.14 H new ATOM 0 HE2 HIS A 7 -32.508 -1.701 -17.451 1.00 55.45 H new ATOM 120 N HIS A 8 -37.712 -2.914 -16.994 1.00 21.43 N ATOM 121 CA HIS A 8 -37.603 -4.322 -17.372 1.00 5.40 C ATOM 122 C HIS A 8 -36.844 -4.459 -18.690 1.00 12.40 C ATOM 123 O HIS A 8 -36.997 -3.638 -19.596 1.00 22.00 O ATOM 124 CB HIS A 8 -38.990 -4.982 -17.486 1.00 32.05 C ATOM 125 CG HIS A 8 -39.827 -4.480 -18.632 1.00 21.35 C ATOM 126 ND1 HIS A 8 -39.664 -4.915 -19.931 1.00 12.31 N ATOM 127 CD2 HIS A 8 -40.842 -3.582 -18.666 1.00 33.13 C ATOM 128 CE1 HIS A 8 -40.539 -4.308 -20.710 1.00 71.32 C ATOM 129 NE2 HIS A 8 -41.267 -3.495 -19.969 1.00 14.55 N ATOM 0 H HIS A 8 -37.990 -2.294 -17.755 1.00 21.43 H new ATOM 0 HA HIS A 8 -37.050 -4.837 -16.587 1.00 5.40 H new ATOM 0 HB2 HIS A 8 -38.858 -6.059 -17.593 1.00 32.05 H new ATOM 0 HB3 HIS A 8 -39.534 -4.818 -16.556 1.00 32.05 H new ATOM 0 HD2 HIS A 8 -41.242 -3.036 -17.824 1.00 33.13 H new ATOM 0 HE1 HIS A 8 -40.642 -4.453 -21.775 1.00 71.32 H new ATOM 0 HE2 HIS A 8 -42.022 -2.899 -20.308 1.00 14.55 H new ATOM 138 N MET A 9 -36.018 -5.493 -18.776 1.00 14.33 N ATOM 139 CA MET A 9 -35.236 -5.780 -19.977 1.00 10.20 C ATOM 140 C MET A 9 -34.772 -7.231 -19.937 1.00 4.43 C ATOM 141 O MET A 9 -33.979 -7.605 -19.071 1.00 62.05 O ATOM 142 CB MET A 9 -34.019 -4.840 -20.066 1.00 34.12 C ATOM 143 CG MET A 9 -33.169 -5.040 -21.319 1.00 74.25 C ATOM 144 SD MET A 9 -31.660 -4.049 -21.301 1.00 10.14 S ATOM 145 CE MET A 9 -30.766 -4.798 -19.938 1.00 71.55 C ATOM 0 H MET A 9 -35.869 -6.158 -18.017 1.00 14.33 H new ATOM 0 HA MET A 9 -35.859 -5.618 -20.857 1.00 10.20 H new ATOM 0 HB2 MET A 9 -34.368 -3.808 -20.037 1.00 34.12 H new ATOM 0 HB3 MET A 9 -33.392 -4.990 -19.187 1.00 34.12 H new ATOM 0 HG2 MET A 9 -32.906 -6.094 -21.410 1.00 74.25 H new ATOM 0 HG3 MET A 9 -33.759 -4.781 -22.198 1.00 74.25 H new ATOM 0 HE1 MET A 9 -29.704 -4.570 -20.030 1.00 71.55 H new ATOM 0 HE2 MET A 9 -31.142 -4.401 -18.995 1.00 71.55 H new ATOM 0 HE3 MET A 9 -30.908 -5.878 -19.960 1.00 71.55 H new ATOM 155 N GLY A 10 -35.281 -8.054 -20.849 1.00 32.43 N ATOM 156 CA GLY A 10 -34.927 -9.460 -20.843 1.00 33.53 C ATOM 157 C GLY A 10 -35.230 -10.162 -22.151 1.00 23.23 C ATOM 158 O GLY A 10 -36.358 -10.602 -22.379 1.00 62.21 O ATOM 0 H GLY A 10 -35.928 -7.774 -21.587 1.00 32.43 H new ATOM 0 HA2 GLY A 10 -33.864 -9.558 -20.624 1.00 33.53 H new ATOM 0 HA3 GLY A 10 -35.466 -9.959 -20.038 1.00 33.53 H new ATOM 162 N THR A 11 -34.223 -10.262 -23.013 1.00 34.53 N ATOM 163 CA THR A 11 -34.329 -11.040 -24.242 1.00 13.23 C ATOM 164 C THR A 11 -32.932 -11.287 -24.826 1.00 32.22 C ATOM 165 O THR A 11 -32.446 -10.545 -25.683 1.00 32.32 O ATOM 166 CB THR A 11 -35.274 -10.373 -25.284 1.00 72.22 C ATOM 167 OG1 THR A 11 -35.344 -11.166 -26.477 1.00 34.23 O ATOM 168 CG2 THR A 11 -34.840 -8.950 -25.634 1.00 74.25 C ATOM 0 H THR A 11 -33.318 -9.810 -22.881 1.00 34.53 H new ATOM 0 HA THR A 11 -34.780 -12.001 -23.993 1.00 13.23 H new ATOM 0 HB THR A 11 -36.261 -10.314 -24.825 1.00 72.22 H new ATOM 0 HG1 THR A 11 -35.943 -10.735 -27.122 1.00 34.23 H new ATOM 0 HG21 THR A 11 -35.531 -8.528 -26.364 1.00 74.25 H new ATOM 0 HG22 THR A 11 -34.845 -8.336 -24.733 1.00 74.25 H new ATOM 0 HG23 THR A 11 -33.835 -8.969 -26.055 1.00 74.25 H new ATOM 176 N LEU A 12 -32.266 -12.313 -24.302 1.00 71.50 N ATOM 177 CA LEU A 12 -30.915 -12.669 -24.728 1.00 51.12 C ATOM 178 C LEU A 12 -30.945 -13.998 -25.476 1.00 2.41 C ATOM 179 O LEU A 12 -30.902 -15.068 -24.864 1.00 51.53 O ATOM 180 CB LEU A 12 -29.957 -12.767 -23.521 1.00 41.54 C ATOM 181 CG LEU A 12 -29.689 -11.457 -22.748 1.00 1.12 C ATOM 182 CD1 LEU A 12 -29.232 -10.349 -23.691 1.00 2.03 C ATOM 183 CD2 LEU A 12 -30.916 -11.023 -21.943 1.00 4.44 C ATOM 0 H LEU A 12 -32.645 -12.918 -23.574 1.00 71.50 H new ATOM 0 HA LEU A 12 -30.547 -11.885 -25.390 1.00 51.12 H new ATOM 0 HB2 LEU A 12 -30.362 -13.499 -22.822 1.00 41.54 H new ATOM 0 HB3 LEU A 12 -29.002 -13.157 -23.874 1.00 41.54 H new ATOM 0 HG LEU A 12 -28.883 -11.650 -22.041 1.00 1.12 H new ATOM 0 HD11 LEU A 12 -29.050 -9.438 -23.121 1.00 2.03 H new ATOM 0 HD12 LEU A 12 -28.313 -10.653 -24.191 1.00 2.03 H new ATOM 0 HD13 LEU A 12 -30.006 -10.163 -24.436 1.00 2.03 H new ATOM 0 HD21 LEU A 12 -30.694 -10.098 -21.411 1.00 4.44 H new ATOM 0 HD22 LEU A 12 -31.756 -10.860 -22.619 1.00 4.44 H new ATOM 0 HD23 LEU A 12 -31.174 -11.801 -21.225 1.00 4.44 H new ATOM 195 N GLU A 13 -31.049 -13.926 -26.798 1.00 71.43 N ATOM 196 CA GLU A 13 -31.132 -15.121 -27.632 1.00 21.04 C ATOM 197 C GLU A 13 -29.778 -15.410 -28.281 1.00 44.32 C ATOM 198 O GLU A 13 -29.359 -14.717 -29.213 1.00 71.34 O ATOM 199 CB GLU A 13 -32.226 -14.944 -28.693 1.00 3.43 C ATOM 200 CG GLU A 13 -33.581 -14.573 -28.097 1.00 72.42 C ATOM 201 CD GLU A 13 -34.672 -14.442 -29.144 1.00 50.02 C ATOM 202 OE1 GLU A 13 -34.745 -13.384 -29.806 1.00 21.45 O ATOM 203 OE2 GLU A 13 -35.450 -15.401 -29.323 1.00 62.43 O ATOM 0 H GLU A 13 -31.078 -13.049 -27.318 1.00 71.43 H new ATOM 0 HA GLU A 13 -31.395 -15.975 -27.008 1.00 21.04 H new ATOM 0 HB2 GLU A 13 -31.920 -14.169 -29.396 1.00 3.43 H new ATOM 0 HB3 GLU A 13 -32.326 -15.869 -29.261 1.00 3.43 H new ATOM 0 HG2 GLU A 13 -33.872 -15.331 -27.370 1.00 72.42 H new ATOM 0 HG3 GLU A 13 -33.489 -13.631 -27.556 1.00 72.42 H new ATOM 210 N ALA A 14 -29.091 -16.424 -27.768 1.00 72.45 N ATOM 211 CA ALA A 14 -27.749 -16.766 -28.227 1.00 22.35 C ATOM 212 C ALA A 14 -27.539 -18.280 -28.196 1.00 63.12 C ATOM 213 O ALA A 14 -27.824 -18.926 -27.186 1.00 72.22 O ATOM 214 CB ALA A 14 -26.711 -16.056 -27.363 1.00 2.03 C ATOM 0 H ALA A 14 -29.445 -17.029 -27.027 1.00 72.45 H new ATOM 0 HA ALA A 14 -27.632 -16.433 -29.258 1.00 22.35 H new ATOM 0 HB1 ALA A 14 -25.711 -16.315 -27.710 1.00 2.03 H new ATOM 0 HB2 ALA A 14 -26.853 -14.978 -27.436 1.00 2.03 H new ATOM 0 HB3 ALA A 14 -26.827 -16.368 -26.325 1.00 2.03 H new ATOM 220 N GLN A 15 -27.050 -18.838 -29.306 1.00 2.04 N ATOM 221 CA GLN A 15 -26.827 -20.283 -29.427 1.00 24.44 C ATOM 222 C GLN A 15 -26.126 -20.577 -30.759 1.00 22.42 C ATOM 223 O GLN A 15 -26.193 -19.764 -31.686 1.00 65.33 O ATOM 224 CB GLN A 15 -28.175 -21.036 -29.346 1.00 35.54 C ATOM 225 CG GLN A 15 -28.133 -22.344 -28.553 1.00 1.34 C ATOM 226 CD GLN A 15 -27.295 -23.435 -29.205 1.00 30.44 C ATOM 227 OE1 GLN A 15 -26.098 -23.564 -28.939 1.00 73.05 O ATOM 228 NE2 GLN A 15 -27.916 -24.225 -30.069 1.00 13.14 N ATOM 0 H GLN A 15 -26.799 -18.307 -30.140 1.00 2.04 H new ATOM 0 HA GLN A 15 -26.194 -20.625 -28.608 1.00 24.44 H new ATOM 0 HB2 GLN A 15 -28.916 -20.377 -28.894 1.00 35.54 H new ATOM 0 HB3 GLN A 15 -28.516 -21.252 -30.359 1.00 35.54 H new ATOM 0 HG2 GLN A 15 -27.737 -22.141 -27.558 1.00 1.34 H new ATOM 0 HG3 GLN A 15 -29.151 -22.711 -28.422 1.00 1.34 H new ATOM 0 HE21 GLN A 15 -28.908 -24.088 -30.264 1.00 13.14 H new ATOM 0 HE22 GLN A 15 -27.402 -24.970 -30.539 1.00 13.14 H new ATOM 237 N THR A 16 -25.428 -21.714 -30.830 1.00 51.14 N ATOM 238 CA THR A 16 -24.782 -22.181 -32.062 1.00 52.51 C ATOM 239 C THR A 16 -23.573 -21.302 -32.420 1.00 40.13 C ATOM 240 O THR A 16 -23.022 -21.374 -33.522 1.00 51.13 O ATOM 241 CB THR A 16 -25.799 -22.232 -33.237 1.00 11.31 C ATOM 242 OG1 THR A 16 -27.011 -22.866 -32.793 1.00 65.40 O ATOM 243 CG2 THR A 16 -25.236 -23.003 -34.430 1.00 41.52 C ATOM 0 H THR A 16 -25.294 -22.338 -30.034 1.00 51.14 H new ATOM 0 HA THR A 16 -24.419 -23.193 -31.886 1.00 52.51 H new ATOM 0 HB THR A 16 -26.000 -21.209 -33.555 1.00 11.31 H new ATOM 0 HG1 THR A 16 -27.654 -22.897 -33.532 1.00 65.40 H new ATOM 0 HG21 THR A 16 -25.973 -23.019 -35.233 1.00 41.52 H new ATOM 0 HG22 THR A 16 -24.326 -22.516 -34.782 1.00 41.52 H new ATOM 0 HG23 THR A 16 -25.007 -24.025 -34.127 1.00 41.52 H new ATOM 251 N GLN A 17 -23.142 -20.501 -31.455 1.00 32.42 N ATOM 252 CA GLN A 17 -22.011 -19.595 -31.636 1.00 51.23 C ATOM 253 C GLN A 17 -20.693 -20.295 -31.303 1.00 30.41 C ATOM 254 O GLN A 17 -20.679 -21.476 -30.947 1.00 31.24 O ATOM 255 CB GLN A 17 -22.210 -18.355 -30.759 1.00 54.23 C ATOM 256 CG GLN A 17 -22.443 -18.677 -29.288 1.00 74.01 C ATOM 257 CD GLN A 17 -22.974 -17.489 -28.512 1.00 13.51 C ATOM 258 OE1 GLN A 17 -24.181 -17.288 -28.429 1.00 30.33 O ATOM 259 NE2 GLN A 17 -22.082 -16.696 -27.945 1.00 74.31 N ATOM 0 H GLN A 17 -23.563 -20.459 -30.527 1.00 32.42 H new ATOM 0 HA GLN A 17 -21.963 -19.288 -32.681 1.00 51.23 H new ATOM 0 HB2 GLN A 17 -21.333 -17.714 -30.847 1.00 54.23 H new ATOM 0 HB3 GLN A 17 -23.060 -17.786 -31.136 1.00 54.23 H new ATOM 0 HG2 GLN A 17 -23.148 -19.504 -29.208 1.00 74.01 H new ATOM 0 HG3 GLN A 17 -21.507 -19.011 -28.840 1.00 74.01 H new ATOM 0 HE21 GLN A 17 -21.087 -16.899 -28.038 1.00 74.31 H new ATOM 0 HE22 GLN A 17 -22.389 -15.881 -27.414 1.00 74.31 H new ATOM 268 N GLY A 18 -19.591 -19.560 -31.425 1.00 45.01 N ATOM 269 CA GLY A 18 -18.274 -20.125 -31.187 1.00 32.05 C ATOM 270 C GLY A 18 -17.771 -20.910 -32.385 1.00 22.41 C ATOM 271 O GLY A 18 -18.464 -20.991 -33.404 1.00 30.02 O ATOM 0 H GLY A 18 -19.588 -18.574 -31.687 1.00 45.01 H new ATOM 0 HA2 GLY A 18 -17.571 -19.324 -30.957 1.00 32.05 H new ATOM 0 HA3 GLY A 18 -18.311 -20.778 -30.315 1.00 32.05 H new ATOM 275 N PRO A 19 -16.566 -21.511 -32.301 1.00 55.32 N ATOM 276 CA PRO A 19 -15.990 -22.283 -33.408 1.00 11.14 C ATOM 277 C PRO A 19 -16.688 -23.637 -33.576 1.00 0.34 C ATOM 278 O PRO A 19 -16.164 -24.675 -33.167 1.00 64.54 O ATOM 279 CB PRO A 19 -14.523 -22.459 -32.989 1.00 61.35 C ATOM 280 CG PRO A 19 -14.568 -22.451 -31.498 1.00 20.44 C ATOM 281 CD PRO A 19 -15.673 -21.492 -31.122 1.00 71.31 C ATOM 0 HA PRO A 19 -16.103 -21.787 -34.372 1.00 11.14 H new ATOM 0 HB2 PRO A 19 -14.109 -23.392 -33.370 1.00 61.35 H new ATOM 0 HB3 PRO A 19 -13.899 -21.652 -33.373 1.00 61.35 H new ATOM 0 HG2 PRO A 19 -14.768 -23.449 -31.108 1.00 20.44 H new ATOM 0 HG3 PRO A 19 -13.614 -22.130 -31.080 1.00 20.44 H new ATOM 0 HD2 PRO A 19 -16.193 -21.814 -30.220 1.00 71.31 H new ATOM 0 HD3 PRO A 19 -15.287 -20.491 -30.928 1.00 71.31 H new ATOM 289 N GLY A 20 -17.888 -23.606 -34.151 1.00 10.05 N ATOM 290 CA GLY A 20 -18.652 -24.822 -34.368 1.00 74.10 C ATOM 291 C GLY A 20 -19.246 -25.367 -33.083 1.00 65.13 C ATOM 292 O GLY A 20 -19.692 -26.514 -33.041 1.00 74.44 O ATOM 0 H GLY A 20 -18.347 -22.754 -34.472 1.00 10.05 H new ATOM 0 HA2 GLY A 20 -19.453 -24.623 -35.080 1.00 74.10 H new ATOM 0 HA3 GLY A 20 -18.008 -25.578 -34.817 1.00 74.10 H new ATOM 296 N SER A 21 -19.256 -24.534 -32.040 1.00 30.53 N ATOM 297 CA SER A 21 -19.790 -24.910 -30.730 1.00 4.43 C ATOM 298 C SER A 21 -19.137 -26.202 -30.210 1.00 25.13 C ATOM 299 O SER A 21 -19.704 -27.292 -30.339 1.00 5.22 O ATOM 300 CB SER A 21 -21.321 -25.060 -30.800 1.00 44.22 C ATOM 301 OG SER A 21 -21.881 -25.357 -29.528 1.00 33.34 O ATOM 0 H SER A 21 -18.895 -23.581 -32.080 1.00 30.53 H new ATOM 0 HA SER A 21 -19.550 -24.114 -30.025 1.00 4.43 H new ATOM 0 HB2 SER A 21 -21.759 -24.139 -31.184 1.00 44.22 H new ATOM 0 HB3 SER A 21 -21.577 -25.852 -31.504 1.00 44.22 H new ATOM 0 HG SER A 21 -22.854 -25.444 -29.611 1.00 33.34 H new ATOM 307 N PRO A 22 -17.920 -26.100 -29.640 1.00 74.53 N ATOM 308 CA PRO A 22 -17.208 -27.252 -29.061 1.00 53.05 C ATOM 309 C PRO A 22 -17.883 -27.767 -27.784 1.00 14.45 C ATOM 310 O PRO A 22 -18.801 -27.132 -27.257 1.00 2.32 O ATOM 311 CB PRO A 22 -15.801 -26.695 -28.747 1.00 32.50 C ATOM 312 CG PRO A 22 -15.722 -25.386 -29.465 1.00 73.23 C ATOM 313 CD PRO A 22 -17.130 -24.864 -29.524 1.00 50.00 C ATOM 0 HA PRO A 22 -17.194 -28.104 -29.740 1.00 53.05 H new ATOM 0 HB2 PRO A 22 -15.661 -26.563 -27.674 1.00 32.50 H new ATOM 0 HB3 PRO A 22 -15.023 -27.378 -29.089 1.00 32.50 H new ATOM 0 HG2 PRO A 22 -15.069 -24.690 -28.938 1.00 73.23 H new ATOM 0 HG3 PRO A 22 -15.310 -25.514 -30.466 1.00 73.23 H new ATOM 0 HD2 PRO A 22 -17.391 -24.297 -28.630 1.00 50.00 H new ATOM 0 HD3 PRO A 22 -17.283 -24.203 -30.377 1.00 50.00 H new ATOM 321 N GLU A 23 -17.425 -28.916 -27.290 1.00 31.13 N ATOM 322 CA GLU A 23 -17.975 -29.504 -26.070 1.00 2.43 C ATOM 323 C GLU A 23 -17.175 -29.071 -24.843 1.00 50.22 C ATOM 324 O GLU A 23 -15.984 -28.770 -24.938 1.00 63.33 O ATOM 325 CB GLU A 23 -17.992 -31.037 -26.162 1.00 32.34 C ATOM 326 CG GLU A 23 -18.988 -31.596 -27.176 1.00 31.05 C ATOM 327 CD GLU A 23 -19.099 -33.112 -27.109 1.00 11.01 C ATOM 328 OE1 GLU A 23 -19.241 -33.653 -25.988 1.00 72.13 O ATOM 329 OE2 GLU A 23 -19.044 -33.772 -28.167 1.00 31.24 O ATOM 0 H GLU A 23 -16.674 -29.459 -27.716 1.00 31.13 H new ATOM 0 HA GLU A 23 -18.999 -29.144 -25.965 1.00 2.43 H new ATOM 0 HB2 GLU A 23 -16.992 -31.385 -26.423 1.00 32.34 H new ATOM 0 HB3 GLU A 23 -18.225 -31.446 -25.179 1.00 32.34 H new ATOM 0 HG2 GLU A 23 -19.969 -31.155 -26.998 1.00 31.05 H new ATOM 0 HG3 GLU A 23 -18.683 -31.301 -28.180 1.00 31.05 H new ATOM 336 N GLY A 24 -17.848 -29.033 -23.695 1.00 33.14 N ATOM 337 CA GLY A 24 -17.182 -28.757 -22.429 1.00 73.02 C ATOM 338 C GLY A 24 -16.777 -27.305 -22.261 1.00 74.44 C ATOM 339 O GLY A 24 -16.084 -26.960 -21.303 1.00 72.20 O ATOM 0 H GLY A 24 -18.853 -29.190 -23.618 1.00 33.14 H new ATOM 0 HA2 GLY A 24 -17.845 -29.038 -21.610 1.00 73.02 H new ATOM 0 HA3 GLY A 24 -16.294 -29.385 -22.350 1.00 73.02 H new ATOM 343 N VAL A 25 -17.211 -26.453 -23.181 1.00 72.40 N ATOM 344 CA VAL A 25 -16.865 -25.034 -23.146 1.00 22.33 C ATOM 345 C VAL A 25 -18.127 -24.169 -23.186 1.00 61.30 C ATOM 346 O VAL A 25 -19.152 -24.586 -23.731 1.00 30.12 O ATOM 347 CB VAL A 25 -15.942 -24.642 -24.332 1.00 54.23 C ATOM 348 CG1 VAL A 25 -14.627 -25.418 -24.277 1.00 44.42 C ATOM 349 CG2 VAL A 25 -16.649 -24.863 -25.671 1.00 24.31 C ATOM 0 H VAL A 25 -17.806 -26.720 -23.965 1.00 72.40 H new ATOM 0 HA VAL A 25 -16.329 -24.858 -22.213 1.00 22.33 H new ATOM 0 HB VAL A 25 -15.712 -23.580 -24.243 1.00 54.23 H new ATOM 0 HG11 VAL A 25 -13.997 -25.127 -25.118 1.00 44.42 H new ATOM 0 HG12 VAL A 25 -14.112 -25.195 -23.343 1.00 44.42 H new ATOM 0 HG13 VAL A 25 -14.833 -26.487 -24.331 1.00 44.42 H new ATOM 0 HG21 VAL A 25 -15.982 -24.581 -26.486 1.00 24.31 H new ATOM 0 HG22 VAL A 25 -16.919 -25.914 -25.771 1.00 24.31 H new ATOM 0 HG23 VAL A 25 -17.550 -24.251 -25.712 1.00 24.31 H new ATOM 359 N PRO A 26 -18.078 -22.965 -22.584 1.00 53.20 N ATOM 360 CA PRO A 26 -19.165 -21.987 -22.677 1.00 53.23 C ATOM 361 C PRO A 26 -19.233 -21.375 -24.079 1.00 63.22 C ATOM 362 O PRO A 26 -18.196 -21.121 -24.697 1.00 4.41 O ATOM 363 CB PRO A 26 -18.796 -20.914 -21.629 1.00 71.45 C ATOM 364 CG PRO A 26 -17.673 -21.502 -20.835 1.00 61.30 C ATOM 365 CD PRO A 26 -16.973 -22.460 -21.756 1.00 20.30 C ATOM 0 HA PRO A 26 -20.143 -22.433 -22.496 1.00 53.23 H new ATOM 0 HB2 PRO A 26 -18.492 -19.984 -22.109 1.00 71.45 H new ATOM 0 HB3 PRO A 26 -19.648 -20.680 -20.990 1.00 71.45 H new ATOM 0 HG2 PRO A 26 -16.991 -20.725 -20.488 1.00 61.30 H new ATOM 0 HG3 PRO A 26 -18.048 -22.015 -19.950 1.00 61.30 H new ATOM 0 HD2 PRO A 26 -16.210 -21.963 -22.355 1.00 20.30 H new ATOM 0 HD3 PRO A 26 -16.477 -23.261 -21.208 1.00 20.30 H new ATOM 373 N PRO A 27 -20.448 -21.153 -24.614 1.00 22.12 N ATOM 374 CA PRO A 27 -20.625 -20.558 -25.943 1.00 12.14 C ATOM 375 C PRO A 27 -20.060 -19.135 -26.023 1.00 32.44 C ATOM 376 O PRO A 27 -20.752 -18.160 -25.716 1.00 51.44 O ATOM 377 CB PRO A 27 -22.152 -20.560 -26.151 1.00 2.02 C ATOM 378 CG PRO A 27 -22.676 -21.543 -25.158 1.00 33.14 C ATOM 379 CD PRO A 27 -21.738 -21.477 -23.985 1.00 24.33 C ATOM 0 HA PRO A 27 -20.089 -21.115 -26.711 1.00 12.14 H new ATOM 0 HB2 PRO A 27 -22.574 -19.569 -25.986 1.00 2.02 H new ATOM 0 HB3 PRO A 27 -22.411 -20.851 -27.169 1.00 2.02 H new ATOM 0 HG2 PRO A 27 -23.694 -21.293 -24.860 1.00 33.14 H new ATOM 0 HG3 PRO A 27 -22.705 -22.548 -25.580 1.00 33.14 H new ATOM 0 HD2 PRO A 27 -22.041 -20.714 -23.268 1.00 24.33 H new ATOM 0 HD3 PRO A 27 -21.698 -22.423 -23.446 1.00 24.33 H new ATOM 387 N THR A 28 -18.786 -19.036 -26.390 1.00 45.53 N ATOM 388 CA THR A 28 -18.130 -17.752 -26.606 1.00 23.35 C ATOM 389 C THR A 28 -18.841 -16.968 -27.716 1.00 32.41 C ATOM 390 O THR A 28 -19.275 -17.552 -28.713 1.00 52.34 O ATOM 391 CB THR A 28 -16.642 -17.962 -26.980 1.00 42.45 C ATOM 392 OG1 THR A 28 -16.025 -18.818 -26.009 1.00 3.44 O ATOM 393 CG2 THR A 28 -15.880 -16.641 -27.043 1.00 14.13 C ATOM 0 H THR A 28 -18.181 -19.842 -26.546 1.00 45.53 H new ATOM 0 HA THR A 28 -18.184 -17.180 -25.680 1.00 23.35 H new ATOM 0 HB THR A 28 -16.607 -18.418 -27.969 1.00 42.45 H new ATOM 0 HG1 THR A 28 -15.083 -18.954 -26.244 1.00 3.44 H new ATOM 0 HG21 THR A 28 -14.840 -16.833 -27.308 1.00 14.13 H new ATOM 0 HG22 THR A 28 -16.333 -15.995 -27.795 1.00 14.13 H new ATOM 0 HG23 THR A 28 -15.922 -16.150 -26.071 1.00 14.13 H new ATOM 401 N ASP A 29 -19.002 -15.659 -27.518 1.00 43.22 N ATOM 402 CA ASP A 29 -19.647 -14.800 -28.513 1.00 33.15 C ATOM 403 C ASP A 29 -18.763 -14.670 -29.747 1.00 10.15 C ATOM 404 O ASP A 29 -19.248 -14.680 -30.881 1.00 40.43 O ATOM 405 CB ASP A 29 -19.944 -13.414 -27.924 1.00 41.45 C ATOM 406 CG ASP A 29 -20.681 -12.513 -28.907 1.00 41.33 C ATOM 407 OD1 ASP A 29 -21.924 -12.608 -28.995 1.00 72.33 O ATOM 408 OD2 ASP A 29 -20.027 -11.708 -29.598 1.00 53.41 O ATOM 0 H ASP A 29 -18.695 -15.170 -26.677 1.00 43.22 H new ATOM 0 HA ASP A 29 -20.592 -15.259 -28.802 1.00 33.15 H new ATOM 0 HB2 ASP A 29 -20.542 -13.527 -27.020 1.00 41.45 H new ATOM 0 HB3 ASP A 29 -19.008 -12.939 -27.630 1.00 41.45 H new ATOM 413 N ARG A 30 -17.465 -14.546 -29.507 1.00 41.34 N ATOM 414 CA ARG A 30 -16.467 -14.488 -30.572 1.00 50.12 C ATOM 415 C ARG A 30 -15.750 -15.833 -30.659 1.00 1.41 C ATOM 416 O ARG A 30 -16.296 -16.865 -30.259 1.00 73.43 O ATOM 417 CB ARG A 30 -15.452 -13.372 -30.271 1.00 54.12 C ATOM 418 CG ARG A 30 -16.090 -12.055 -29.851 1.00 21.54 C ATOM 419 CD ARG A 30 -16.921 -11.427 -30.963 1.00 40.24 C ATOM 420 NE ARG A 30 -17.748 -10.332 -30.452 1.00 70.52 N ATOM 421 CZ ARG A 30 -17.275 -9.148 -30.061 1.00 52.34 C ATOM 422 NH1 ARG A 30 -15.989 -8.851 -30.210 1.00 32.25 N ATOM 423 NH2 ARG A 30 -18.101 -8.252 -29.541 1.00 22.53 N ATOM 0 H ARG A 30 -17.071 -14.483 -28.568 1.00 41.34 H new ATOM 0 HA ARG A 30 -16.956 -14.274 -31.523 1.00 50.12 H new ATOM 0 HB2 ARG A 30 -14.781 -13.708 -29.480 1.00 54.12 H new ATOM 0 HB3 ARG A 30 -14.840 -13.202 -31.157 1.00 54.12 H new ATOM 0 HG2 ARG A 30 -16.723 -12.224 -28.980 1.00 21.54 H new ATOM 0 HG3 ARG A 30 -15.309 -11.358 -29.547 1.00 21.54 H new ATOM 0 HD2 ARG A 30 -16.262 -11.053 -31.746 1.00 40.24 H new ATOM 0 HD3 ARG A 30 -17.558 -12.186 -31.417 1.00 40.24 H new ATOM 0 HE ARG A 30 -18.755 -10.485 -30.391 1.00 70.52 H new ATOM 0 HH11 ARG A 30 -15.353 -9.531 -30.627 1.00 32.25 H new ATOM 0 HH12 ARG A 30 -15.637 -7.943 -29.908 1.00 32.25 H new ATOM 0 HH21 ARG A 30 -19.093 -8.470 -29.442 1.00 22.53 H new ATOM 0 HH22 ARG A 30 -17.745 -7.345 -29.240 1.00 22.53 H new ATOM 437 N PHE A 31 -14.534 -15.824 -31.188 1.00 5.02 N ATOM 438 CA PHE A 31 -13.681 -17.001 -31.145 1.00 30.21 C ATOM 439 C PHE A 31 -13.061 -17.121 -29.751 1.00 11.12 C ATOM 440 O PHE A 31 -12.936 -16.119 -29.044 1.00 60.42 O ATOM 441 CB PHE A 31 -12.594 -16.910 -32.229 1.00 54.15 C ATOM 442 CG PHE A 31 -13.142 -17.003 -33.633 1.00 41.22 C ATOM 443 CD1 PHE A 31 -13.408 -18.239 -34.208 1.00 24.24 C ATOM 444 CD2 PHE A 31 -13.401 -15.857 -34.373 1.00 64.33 C ATOM 445 CE1 PHE A 31 -13.918 -18.330 -35.489 1.00 62.10 C ATOM 446 CE2 PHE A 31 -13.910 -15.944 -35.657 1.00 34.10 C ATOM 447 CZ PHE A 31 -14.168 -17.180 -36.215 1.00 23.03 C ATOM 0 H PHE A 31 -14.118 -15.016 -31.651 1.00 5.02 H new ATOM 0 HA PHE A 31 -14.274 -17.893 -31.344 1.00 30.21 H new ATOM 0 HB2 PHE A 31 -12.057 -15.968 -32.117 1.00 54.15 H new ATOM 0 HB3 PHE A 31 -11.869 -17.710 -32.075 1.00 54.15 H new ATOM 0 HD1 PHE A 31 -13.214 -19.141 -33.646 1.00 24.24 H new ATOM 0 HD2 PHE A 31 -13.203 -14.887 -33.942 1.00 64.33 H new ATOM 0 HE1 PHE A 31 -14.121 -19.298 -35.923 1.00 62.10 H new ATOM 0 HE2 PHE A 31 -14.105 -15.045 -36.222 1.00 34.10 H new ATOM 0 HZ PHE A 31 -14.565 -17.249 -37.217 1.00 23.03 H new ATOM 457 N PRO A 32 -12.684 -18.343 -29.325 1.00 23.40 N ATOM 458 CA PRO A 32 -12.123 -18.572 -27.984 1.00 61.21 C ATOM 459 C PRO A 32 -10.809 -17.817 -27.774 1.00 12.12 C ATOM 460 O PRO A 32 -10.369 -17.613 -26.640 1.00 45.31 O ATOM 461 CB PRO A 32 -11.911 -20.096 -27.924 1.00 34.33 C ATOM 462 CG PRO A 32 -11.932 -20.562 -29.343 1.00 12.11 C ATOM 463 CD PRO A 32 -12.785 -19.586 -30.106 1.00 51.11 C ATOM 0 HA PRO A 32 -12.782 -18.207 -27.196 1.00 61.21 H new ATOM 0 HB2 PRO A 32 -10.963 -20.341 -27.445 1.00 34.33 H new ATOM 0 HB3 PRO A 32 -12.696 -20.578 -27.342 1.00 34.33 H new ATOM 0 HG2 PRO A 32 -10.923 -20.597 -29.754 1.00 12.11 H new ATOM 0 HG3 PRO A 32 -12.340 -21.570 -29.413 1.00 12.11 H new ATOM 0 HD2 PRO A 32 -12.422 -19.449 -31.124 1.00 51.11 H new ATOM 0 HD3 PRO A 32 -13.817 -19.929 -30.179 1.00 51.11 H new ATOM 471 N LEU A 33 -10.184 -17.408 -28.874 1.00 21.14 N ATOM 472 CA LEU A 33 -8.975 -16.593 -28.821 1.00 43.40 C ATOM 473 C LEU A 33 -9.346 -15.114 -28.900 1.00 31.24 C ATOM 474 O LEU A 33 -10.376 -14.761 -29.477 1.00 3.30 O ATOM 475 CB LEU A 33 -8.010 -16.948 -29.964 1.00 65.01 C ATOM 476 CG LEU A 33 -7.392 -18.362 -29.913 1.00 10.43 C ATOM 477 CD1 LEU A 33 -8.435 -19.437 -30.206 1.00 12.42 C ATOM 478 CD2 LEU A 33 -6.225 -18.472 -30.891 1.00 72.02 C ATOM 0 H LEU A 33 -10.498 -17.630 -29.819 1.00 21.14 H new ATOM 0 HA LEU A 33 -8.471 -16.797 -27.876 1.00 43.40 H new ATOM 0 HB2 LEU A 33 -8.542 -16.839 -30.909 1.00 65.01 H new ATOM 0 HB3 LEU A 33 -7.200 -16.219 -29.969 1.00 65.01 H new ATOM 0 HG LEU A 33 -7.019 -18.525 -28.902 1.00 10.43 H new ATOM 0 HD11 LEU A 33 -7.966 -20.420 -30.162 1.00 12.42 H new ATOM 0 HD12 LEU A 33 -9.233 -19.382 -29.465 1.00 12.42 H new ATOM 0 HD13 LEU A 33 -8.852 -19.278 -31.200 1.00 12.42 H new ATOM 0 HD21 LEU A 33 -5.802 -19.475 -30.841 1.00 72.02 H new ATOM 0 HD22 LEU A 33 -6.579 -18.277 -31.903 1.00 72.02 H new ATOM 0 HD23 LEU A 33 -5.460 -17.742 -30.628 1.00 72.02 H new ATOM 490 N LEU A 34 -8.493 -14.262 -28.334 1.00 14.54 N ATOM 491 CA LEU A 34 -8.745 -12.818 -28.272 1.00 1.15 C ATOM 492 C LEU A 34 -9.987 -12.516 -27.429 1.00 23.24 C ATOM 493 O LEU A 34 -10.519 -11.407 -27.471 1.00 75.43 O ATOM 494 CB LEU A 34 -8.894 -12.203 -29.682 1.00 54.33 C ATOM 495 CG LEU A 34 -7.607 -12.110 -30.527 1.00 63.34 C ATOM 496 CD1 LEU A 34 -6.511 -11.364 -29.771 1.00 52.15 C ATOM 497 CD2 LEU A 34 -7.126 -13.492 -30.966 1.00 55.35 C ATOM 0 H LEU A 34 -7.612 -14.548 -27.907 1.00 14.54 H new ATOM 0 HA LEU A 34 -7.878 -12.360 -27.796 1.00 1.15 H new ATOM 0 HB2 LEU A 34 -9.625 -12.791 -30.236 1.00 54.33 H new ATOM 0 HB3 LEU A 34 -9.307 -11.200 -29.576 1.00 54.33 H new ATOM 0 HG LEU A 34 -7.844 -11.543 -31.427 1.00 63.34 H new ATOM 0 HD11 LEU A 34 -5.614 -11.312 -30.388 1.00 52.15 H new ATOM 0 HD12 LEU A 34 -6.851 -10.355 -29.539 1.00 52.15 H new ATOM 0 HD13 LEU A 34 -6.284 -11.892 -28.845 1.00 52.15 H new ATOM 0 HD21 LEU A 34 -6.217 -13.390 -31.559 1.00 55.35 H new ATOM 0 HD22 LEU A 34 -6.918 -14.101 -30.086 1.00 55.35 H new ATOM 0 HD23 LEU A 34 -7.899 -13.973 -31.566 1.00 55.35 H new ATOM 509 N ALA A 35 -10.423 -13.495 -26.638 1.00 40.20 N ATOM 510 CA ALA A 35 -11.605 -13.336 -25.784 1.00 32.23 C ATOM 511 C ALA A 35 -11.297 -12.485 -24.554 1.00 54.11 C ATOM 512 O ALA A 35 -12.154 -12.267 -23.696 1.00 20.41 O ATOM 513 CB ALA A 35 -12.159 -14.702 -25.379 1.00 0.34 C ATOM 0 H ALA A 35 -9.976 -14.409 -26.569 1.00 40.20 H new ATOM 0 HA ALA A 35 -12.367 -12.811 -26.360 1.00 32.23 H new ATOM 0 HB1 ALA A 35 -13.036 -14.566 -24.746 1.00 0.34 H new ATOM 0 HB2 ALA A 35 -12.440 -15.260 -26.272 1.00 0.34 H new ATOM 0 HB3 ALA A 35 -11.397 -15.255 -24.830 1.00 0.34 H new ATOM 519 N LEU A 36 -10.070 -11.997 -24.501 1.00 11.44 N ATOM 520 CA LEU A 36 -9.601 -11.133 -23.424 1.00 70.21 C ATOM 521 C LEU A 36 -8.344 -10.396 -23.881 1.00 54.41 C ATOM 522 O LEU A 36 -7.479 -10.980 -24.537 1.00 32.22 O ATOM 523 CB LEU A 36 -9.367 -11.931 -22.107 1.00 21.24 C ATOM 524 CG LEU A 36 -8.250 -13.014 -22.075 1.00 12.54 C ATOM 525 CD1 LEU A 36 -8.290 -13.924 -23.300 1.00 32.02 C ATOM 526 CD2 LEU A 36 -6.864 -12.392 -21.897 1.00 4.31 C ATOM 0 H LEU A 36 -9.362 -12.189 -25.210 1.00 11.44 H new ATOM 0 HA LEU A 36 -10.372 -10.397 -23.197 1.00 70.21 H new ATOM 0 HB2 LEU A 36 -9.151 -11.210 -21.318 1.00 21.24 H new ATOM 0 HB3 LEU A 36 -10.306 -12.418 -21.845 1.00 21.24 H new ATOM 0 HG LEU A 36 -8.450 -13.638 -21.204 1.00 12.54 H new ATOM 0 HD11 LEU A 36 -7.491 -14.663 -23.231 1.00 32.02 H new ATOM 0 HD12 LEU A 36 -9.253 -14.434 -23.343 1.00 32.02 H new ATOM 0 HD13 LEU A 36 -8.155 -13.327 -24.202 1.00 32.02 H new ATOM 0 HD21 LEU A 36 -6.111 -13.180 -21.879 1.00 4.31 H new ATOM 0 HD22 LEU A 36 -6.660 -11.714 -22.726 1.00 4.31 H new ATOM 0 HD23 LEU A 36 -6.831 -11.838 -20.959 1.00 4.31 H new ATOM 538 N LEU A 37 -8.268 -9.100 -23.580 1.00 13.52 N ATOM 539 CA LEU A 37 -7.116 -8.282 -23.973 1.00 21.25 C ATOM 540 C LEU A 37 -6.489 -7.630 -22.749 1.00 14.11 C ATOM 541 O LEU A 37 -5.825 -6.599 -22.843 1.00 53.31 O ATOM 542 CB LEU A 37 -7.527 -7.200 -24.996 1.00 71.04 C ATOM 543 CG LEU A 37 -8.045 -7.699 -26.363 1.00 45.01 C ATOM 544 CD1 LEU A 37 -7.100 -8.739 -26.958 1.00 73.25 C ATOM 545 CD2 LEU A 37 -9.470 -8.241 -26.260 1.00 10.31 C ATOM 0 H LEU A 37 -8.988 -8.593 -23.066 1.00 13.52 H new ATOM 0 HA LEU A 37 -6.382 -8.937 -24.443 1.00 21.25 H new ATOM 0 HB2 LEU A 37 -8.302 -6.581 -24.544 1.00 71.04 H new ATOM 0 HB3 LEU A 37 -6.667 -6.555 -25.173 1.00 71.04 H new ATOM 0 HG LEU A 37 -8.071 -6.843 -27.038 1.00 45.01 H new ATOM 0 HD11 LEU A 37 -7.487 -9.074 -27.920 1.00 73.25 H new ATOM 0 HD12 LEU A 37 -6.114 -8.297 -27.098 1.00 73.25 H new ATOM 0 HD13 LEU A 37 -7.023 -9.590 -26.281 1.00 73.25 H new ATOM 0 HD21 LEU A 37 -9.801 -8.583 -27.241 1.00 10.31 H new ATOM 0 HD22 LEU A 37 -9.492 -9.075 -25.558 1.00 10.31 H new ATOM 0 HD23 LEU A 37 -10.135 -7.452 -25.907 1.00 10.31 H new ATOM 557 N ARG A 38 -6.683 -8.265 -21.606 1.00 2.14 N ATOM 558 CA ARG A 38 -6.242 -7.728 -20.317 1.00 45.54 C ATOM 559 C ARG A 38 -5.726 -8.856 -19.436 1.00 2.05 C ATOM 560 O ARG A 38 -5.931 -10.031 -19.745 1.00 21.04 O ATOM 561 CB ARG A 38 -7.410 -7.018 -19.608 1.00 41.41 C ATOM 562 CG ARG A 38 -8.034 -5.883 -20.410 1.00 14.00 C ATOM 563 CD ARG A 38 -7.077 -4.710 -20.584 1.00 71.31 C ATOM 564 NE ARG A 38 -7.624 -3.701 -21.490 1.00 2.14 N ATOM 565 CZ ARG A 38 -8.192 -2.561 -21.101 1.00 52.02 C ATOM 566 NH1 ARG A 38 -8.360 -2.297 -19.810 1.00 34.34 N ATOM 567 NH2 ARG A 38 -8.620 -1.698 -22.011 1.00 41.24 N ATOM 0 H ARG A 38 -7.151 -9.169 -21.539 1.00 2.14 H new ATOM 0 HA ARG A 38 -5.442 -7.009 -20.494 1.00 45.54 H new ATOM 0 HB2 ARG A 38 -8.182 -7.753 -19.380 1.00 41.41 H new ATOM 0 HB3 ARG A 38 -7.055 -6.622 -18.656 1.00 41.41 H new ATOM 0 HG2 ARG A 38 -8.334 -6.254 -21.390 1.00 14.00 H new ATOM 0 HG3 ARG A 38 -8.939 -5.540 -19.909 1.00 14.00 H new ATOM 0 HD2 ARG A 38 -6.875 -4.257 -19.613 1.00 71.31 H new ATOM 0 HD3 ARG A 38 -6.125 -5.071 -20.972 1.00 71.31 H new ATOM 0 HE ARG A 38 -7.566 -3.883 -22.492 1.00 2.14 H new ATOM 0 HH11 ARG A 38 -8.053 -2.970 -19.108 1.00 34.34 H new ATOM 0 HH12 ARG A 38 -8.796 -1.421 -19.521 1.00 34.34 H new ATOM 0 HH21 ARG A 38 -8.514 -1.909 -23.003 1.00 41.24 H new ATOM 0 HH22 ARG A 38 -9.056 -0.823 -21.719 1.00 41.24 H new ATOM 581 N ARG A 39 -5.079 -8.497 -18.332 1.00 13.43 N ATOM 582 CA ARG A 39 -4.590 -9.479 -17.362 1.00 31.22 C ATOM 583 C ARG A 39 -5.734 -9.969 -16.469 1.00 12.54 C ATOM 584 O ARG A 39 -5.614 -9.993 -15.244 1.00 64.51 O ATOM 585 CB ARG A 39 -3.487 -8.874 -16.483 1.00 71.22 C ATOM 586 CG ARG A 39 -3.944 -7.645 -15.697 1.00 25.23 C ATOM 587 CD ARG A 39 -3.183 -7.480 -14.386 1.00 12.21 C ATOM 588 NE ARG A 39 -1.736 -7.418 -14.574 1.00 64.14 N ATOM 589 CZ ARG A 39 -0.849 -7.607 -13.597 1.00 40.21 C ATOM 590 NH1 ARG A 39 -1.256 -7.867 -12.358 1.00 72.51 N ATOM 591 NH2 ARG A 39 0.445 -7.542 -13.864 1.00 72.23 N ATOM 0 H ARG A 39 -4.879 -7.528 -18.083 1.00 13.43 H new ATOM 0 HA ARG A 39 -4.181 -10.321 -17.920 1.00 31.22 H new ATOM 0 HB2 ARG A 39 -3.133 -9.632 -15.784 1.00 71.22 H new ATOM 0 HB3 ARG A 39 -2.640 -8.600 -17.112 1.00 71.22 H new ATOM 0 HG2 ARG A 39 -3.807 -6.753 -16.309 1.00 25.23 H new ATOM 0 HG3 ARG A 39 -5.011 -7.726 -15.488 1.00 25.23 H new ATOM 0 HD2 ARG A 39 -3.519 -6.570 -13.888 1.00 12.21 H new ATOM 0 HD3 ARG A 39 -3.423 -8.313 -13.725 1.00 12.21 H new ATOM 0 HE ARG A 39 -1.383 -7.218 -15.510 1.00 64.14 H new ATOM 0 HH11 ARG A 39 -2.253 -7.923 -12.150 1.00 72.51 H new ATOM 0 HH12 ARG A 39 -0.571 -8.010 -11.616 1.00 72.51 H new ATOM 0 HH21 ARG A 39 0.761 -7.348 -14.814 1.00 72.23 H new ATOM 0 HH22 ARG A 39 1.127 -7.686 -13.120 1.00 72.23 H new ATOM 605 N THR A 40 -6.844 -10.340 -17.083 1.00 21.32 N ATOM 606 CA THR A 40 -7.984 -10.881 -16.354 1.00 31.44 C ATOM 607 C THR A 40 -8.580 -12.071 -17.086 1.00 32.23 C ATOM 608 O THR A 40 -8.371 -12.255 -18.288 1.00 70.14 O ATOM 609 CB THR A 40 -9.083 -9.819 -16.109 1.00 25.32 C ATOM 610 OG1 THR A 40 -10.200 -10.401 -15.416 1.00 2.42 O ATOM 611 CG2 THR A 40 -9.557 -9.188 -17.417 1.00 5.33 C ATOM 0 H THR A 40 -6.983 -10.277 -18.092 1.00 21.32 H new ATOM 0 HA THR A 40 -7.607 -11.204 -15.384 1.00 31.44 H new ATOM 0 HB THR A 40 -8.646 -9.034 -15.492 1.00 25.32 H new ATOM 0 HG1 THR A 40 -10.885 -9.716 -15.267 1.00 2.42 H new ATOM 0 HG21 THR A 40 -10.328 -8.448 -17.205 1.00 5.33 H new ATOM 0 HG22 THR A 40 -8.716 -8.704 -17.913 1.00 5.33 H new ATOM 0 HG23 THR A 40 -9.966 -9.962 -18.067 1.00 5.33 H new ATOM 619 N LEU A 41 -9.338 -12.862 -16.344 1.00 51.33 N ATOM 620 CA LEU A 41 -9.940 -14.087 -16.862 1.00 34.14 C ATOM 621 C LEU A 41 -11.406 -13.860 -17.199 1.00 43.22 C ATOM 622 O LEU A 41 -12.205 -13.530 -16.322 1.00 22.33 O ATOM 623 CB LEU A 41 -9.825 -15.235 -15.836 1.00 61.14 C ATOM 624 CG LEU A 41 -8.545 -16.087 -15.901 1.00 40.42 C ATOM 625 CD1 LEU A 41 -7.297 -15.222 -15.744 1.00 4.32 C ATOM 626 CD2 LEU A 41 -8.584 -17.186 -14.838 1.00 50.44 C ATOM 0 H LEU A 41 -9.555 -12.676 -15.365 1.00 51.33 H new ATOM 0 HA LEU A 41 -9.399 -14.365 -17.767 1.00 34.14 H new ATOM 0 HB2 LEU A 41 -9.900 -14.808 -14.836 1.00 61.14 H new ATOM 0 HB3 LEU A 41 -10.682 -15.896 -15.966 1.00 61.14 H new ATOM 0 HG LEU A 41 -8.499 -16.557 -16.883 1.00 40.42 H new ATOM 0 HD11 LEU A 41 -6.409 -15.852 -15.794 1.00 4.32 H new ATOM 0 HD12 LEU A 41 -7.263 -14.483 -16.545 1.00 4.32 H new ATOM 0 HD13 LEU A 41 -7.326 -14.712 -14.781 1.00 4.32 H new ATOM 0 HD21 LEU A 41 -7.672 -17.781 -14.896 1.00 50.44 H new ATOM 0 HD22 LEU A 41 -8.660 -16.733 -13.849 1.00 50.44 H new ATOM 0 HD23 LEU A 41 -9.448 -17.828 -15.010 1.00 50.44 H new ATOM 638 N THR A 42 -11.755 -14.012 -18.470 1.00 31.45 N ATOM 639 CA THR A 42 -13.154 -14.088 -18.857 1.00 23.21 C ATOM 640 C THR A 42 -13.671 -15.460 -18.424 1.00 63.23 C ATOM 641 O THR A 42 -12.868 -16.384 -18.248 1.00 44.05 O ATOM 642 CB THR A 42 -13.338 -13.874 -20.384 1.00 20.41 C ATOM 643 OG1 THR A 42 -14.729 -13.729 -20.699 1.00 73.40 O ATOM 644 CG2 THR A 42 -12.745 -15.025 -21.195 1.00 34.51 C ATOM 0 H THR A 42 -11.094 -14.084 -19.243 1.00 31.45 H new ATOM 0 HA THR A 42 -13.721 -13.295 -18.370 1.00 23.21 H new ATOM 0 HB THR A 42 -12.803 -12.963 -20.652 1.00 20.41 H new ATOM 0 HG1 THR A 42 -15.087 -14.589 -21.003 1.00 73.40 H new ATOM 0 HG21 THR A 42 -12.895 -14.836 -22.258 1.00 34.51 H new ATOM 0 HG22 THR A 42 -11.678 -15.104 -20.987 1.00 34.51 H new ATOM 0 HG23 THR A 42 -13.239 -15.957 -20.919 1.00 34.51 H new ATOM 652 N GLU A 43 -14.982 -15.605 -18.247 1.00 15.15 N ATOM 653 CA GLU A 43 -15.538 -16.822 -17.651 1.00 71.31 C ATOM 654 C GLU A 43 -15.018 -18.080 -18.328 1.00 12.12 C ATOM 655 O GLU A 43 -14.671 -19.041 -17.654 1.00 32.21 O ATOM 656 CB GLU A 43 -17.069 -16.816 -17.676 1.00 43.41 C ATOM 657 CG GLU A 43 -17.694 -15.971 -16.572 1.00 4.44 C ATOM 658 CD GLU A 43 -17.123 -16.290 -15.193 1.00 44.01 C ATOM 659 OE1 GLU A 43 -17.187 -17.466 -14.775 1.00 20.13 O ATOM 660 OE2 GLU A 43 -16.610 -15.367 -14.524 1.00 43.34 O ATOM 0 H GLU A 43 -15.676 -14.903 -18.504 1.00 15.15 H new ATOM 0 HA GLU A 43 -15.205 -16.831 -16.613 1.00 71.31 H new ATOM 0 HB2 GLU A 43 -17.407 -16.443 -18.643 1.00 43.41 H new ATOM 0 HB3 GLU A 43 -17.430 -17.841 -17.586 1.00 43.41 H new ATOM 0 HG2 GLU A 43 -17.533 -14.916 -16.792 1.00 4.44 H new ATOM 0 HG3 GLU A 43 -18.772 -16.134 -16.561 1.00 4.44 H new ATOM 667 N GLU A 44 -14.918 -18.061 -19.648 1.00 24.15 N ATOM 668 CA GLU A 44 -14.481 -19.236 -20.389 1.00 42.15 C ATOM 669 C GLU A 44 -13.078 -19.649 -19.934 1.00 51.42 C ATOM 670 O GLU A 44 -12.785 -20.838 -19.754 1.00 31.32 O ATOM 671 CB GLU A 44 -14.523 -18.965 -21.903 1.00 42.11 C ATOM 672 CG GLU A 44 -15.869 -18.408 -22.388 1.00 54.42 C ATOM 673 CD GLU A 44 -15.864 -16.895 -22.561 1.00 75.51 C ATOM 674 OE1 GLU A 44 -15.870 -16.172 -21.540 1.00 13.55 O ATOM 675 OE2 GLU A 44 -15.850 -16.422 -23.715 1.00 0.14 O ATOM 0 H GLU A 44 -15.132 -17.249 -20.227 1.00 24.15 H new ATOM 0 HA GLU A 44 -15.162 -20.062 -20.183 1.00 42.15 H new ATOM 0 HB2 GLU A 44 -13.733 -18.259 -22.160 1.00 42.11 H new ATOM 0 HB3 GLU A 44 -14.309 -19.891 -22.436 1.00 42.11 H new ATOM 0 HG2 GLU A 44 -16.127 -18.875 -23.338 1.00 54.42 H new ATOM 0 HG3 GLU A 44 -16.647 -18.683 -21.676 1.00 54.42 H new ATOM 682 N GLN A 45 -12.232 -18.651 -19.698 1.00 31.04 N ATOM 683 CA GLN A 45 -10.879 -18.877 -19.203 1.00 14.15 C ATOM 684 C GLN A 45 -10.920 -19.411 -17.775 1.00 53.01 C ATOM 685 O GLN A 45 -10.119 -20.264 -17.403 1.00 14.13 O ATOM 686 CB GLN A 45 -10.068 -17.576 -19.263 1.00 51.21 C ATOM 687 CG GLN A 45 -9.891 -17.022 -20.680 1.00 30.54 C ATOM 688 CD GLN A 45 -8.767 -17.685 -21.476 1.00 41.25 C ATOM 689 OE1 GLN A 45 -8.155 -17.058 -22.339 1.00 64.40 O ATOM 690 NE2 GLN A 45 -8.488 -18.952 -21.204 1.00 1.34 N ATOM 0 H GLN A 45 -12.463 -17.668 -19.844 1.00 31.04 H new ATOM 0 HA GLN A 45 -10.395 -19.619 -19.837 1.00 14.15 H new ATOM 0 HB2 GLN A 45 -10.561 -16.823 -18.648 1.00 51.21 H new ATOM 0 HB3 GLN A 45 -9.085 -17.751 -18.826 1.00 51.21 H new ATOM 0 HG2 GLN A 45 -10.827 -17.143 -21.225 1.00 30.54 H new ATOM 0 HG3 GLN A 45 -9.694 -15.952 -20.618 1.00 30.54 H new ATOM 0 HE21 GLN A 45 -9.013 -19.446 -20.482 1.00 1.34 H new ATOM 0 HE22 GLN A 45 -7.748 -19.433 -21.716 1.00 1.34 H new ATOM 699 N VAL A 46 -11.869 -18.914 -16.986 1.00 64.44 N ATOM 700 CA VAL A 46 -12.049 -19.375 -15.612 1.00 2.55 C ATOM 701 C VAL A 46 -12.405 -20.858 -15.608 1.00 12.42 C ATOM 702 O VAL A 46 -11.767 -21.670 -14.931 1.00 73.15 O ATOM 703 CB VAL A 46 -13.166 -18.579 -14.887 1.00 31.43 C ATOM 704 CG1 VAL A 46 -13.443 -19.148 -13.496 1.00 64.04 C ATOM 705 CG2 VAL A 46 -12.806 -17.097 -14.801 1.00 15.10 C ATOM 0 H VAL A 46 -12.527 -18.190 -17.276 1.00 64.44 H new ATOM 0 HA VAL A 46 -11.111 -19.213 -15.080 1.00 2.55 H new ATOM 0 HB VAL A 46 -14.078 -18.679 -15.475 1.00 31.43 H new ATOM 0 HG11 VAL A 46 -14.230 -18.567 -13.016 1.00 64.04 H new ATOM 0 HG12 VAL A 46 -13.761 -20.187 -13.585 1.00 64.04 H new ATOM 0 HG13 VAL A 46 -12.536 -19.096 -12.894 1.00 64.04 H new ATOM 0 HG21 VAL A 46 -13.603 -16.558 -14.289 1.00 15.10 H new ATOM 0 HG22 VAL A 46 -11.875 -16.980 -14.247 1.00 15.10 H new ATOM 0 HG23 VAL A 46 -12.683 -16.694 -15.806 1.00 15.10 H new ATOM 715 N GLN A 47 -13.409 -21.197 -16.405 1.00 74.22 N ATOM 716 CA GLN A 47 -13.894 -22.564 -16.515 1.00 73.34 C ATOM 717 C GLN A 47 -12.789 -23.469 -17.058 1.00 25.01 C ATOM 718 O GLN A 47 -12.686 -24.633 -16.670 1.00 54.32 O ATOM 719 CB GLN A 47 -15.136 -22.609 -17.422 1.00 71.34 C ATOM 720 CG GLN A 47 -16.162 -21.521 -17.097 1.00 23.23 C ATOM 721 CD GLN A 47 -16.859 -21.697 -15.755 1.00 21.44 C ATOM 722 OE1 GLN A 47 -16.341 -22.340 -14.842 1.00 4.54 O ATOM 723 NE2 GLN A 47 -18.013 -21.064 -15.603 1.00 3.44 N ATOM 0 H GLN A 47 -13.910 -20.531 -16.993 1.00 74.22 H new ATOM 0 HA GLN A 47 -14.177 -22.926 -15.527 1.00 73.34 H new ATOM 0 HB2 GLN A 47 -14.823 -22.505 -18.461 1.00 71.34 H new ATOM 0 HB3 GLN A 47 -15.610 -23.586 -17.329 1.00 71.34 H new ATOM 0 HG2 GLN A 47 -15.663 -20.552 -17.109 1.00 23.23 H new ATOM 0 HG3 GLN A 47 -16.915 -21.502 -17.885 1.00 23.23 H new ATOM 0 HE21 GLN A 47 -18.414 -20.540 -16.381 1.00 3.44 H new ATOM 0 HE22 GLN A 47 -18.501 -21.100 -14.708 1.00 3.44 H new ATOM 732 N GLU A 48 -11.950 -22.922 -17.944 1.00 35.04 N ATOM 733 CA GLU A 48 -10.804 -23.652 -18.462 1.00 64.51 C ATOM 734 C GLU A 48 -9.787 -23.921 -17.345 1.00 55.04 C ATOM 735 O GLU A 48 -9.288 -25.042 -17.215 1.00 73.40 O ATOM 736 CB GLU A 48 -10.173 -22.887 -19.638 1.00 43.20 C ATOM 737 CG GLU A 48 -8.657 -22.995 -19.707 1.00 42.23 C ATOM 738 CD GLU A 48 -8.100 -22.716 -21.093 1.00 41.42 C ATOM 739 OE1 GLU A 48 -7.882 -21.534 -21.433 1.00 51.14 O ATOM 740 OE2 GLU A 48 -7.881 -23.682 -21.857 1.00 52.21 O ATOM 0 H GLU A 48 -12.049 -21.976 -18.313 1.00 35.04 H new ATOM 0 HA GLU A 48 -11.138 -24.619 -18.837 1.00 64.51 H new ATOM 0 HB2 GLU A 48 -10.596 -23.262 -20.570 1.00 43.20 H new ATOM 0 HB3 GLU A 48 -10.449 -21.835 -19.563 1.00 43.20 H new ATOM 0 HG2 GLU A 48 -8.217 -22.294 -18.998 1.00 42.23 H new ATOM 0 HG3 GLU A 48 -8.356 -23.995 -19.396 1.00 42.23 H new ATOM 747 N VAL A 49 -9.496 -22.901 -16.531 1.00 34.21 N ATOM 748 CA VAL A 49 -8.601 -23.069 -15.386 1.00 32.22 C ATOM 749 C VAL A 49 -9.120 -24.165 -14.462 1.00 34.13 C ATOM 750 O VAL A 49 -8.347 -24.984 -13.969 1.00 25.13 O ATOM 751 CB VAL A 49 -8.424 -21.750 -14.588 1.00 3.23 C ATOM 752 CG1 VAL A 49 -7.611 -21.981 -13.313 1.00 62.33 C ATOM 753 CG2 VAL A 49 -7.764 -20.680 -15.455 1.00 71.11 C ATOM 0 H VAL A 49 -9.865 -21.957 -16.644 1.00 34.21 H new ATOM 0 HA VAL A 49 -7.625 -23.355 -15.779 1.00 32.22 H new ATOM 0 HB VAL A 49 -9.415 -21.400 -14.298 1.00 3.23 H new ATOM 0 HG11 VAL A 49 -7.503 -21.039 -12.775 1.00 62.33 H new ATOM 0 HG12 VAL A 49 -8.125 -22.704 -12.680 1.00 62.33 H new ATOM 0 HG13 VAL A 49 -6.625 -22.364 -13.575 1.00 62.33 H new ATOM 0 HG21 VAL A 49 -7.649 -19.763 -14.877 1.00 71.11 H new ATOM 0 HG22 VAL A 49 -6.784 -21.029 -15.781 1.00 71.11 H new ATOM 0 HG23 VAL A 49 -8.387 -20.483 -16.327 1.00 71.11 H new ATOM 763 N VAL A 50 -10.432 -24.193 -14.250 1.00 60.22 N ATOM 764 CA VAL A 50 -11.041 -25.222 -13.407 1.00 11.40 C ATOM 765 C VAL A 50 -10.956 -26.589 -14.089 1.00 72.34 C ATOM 766 O VAL A 50 -10.725 -27.609 -13.435 1.00 53.42 O ATOM 767 CB VAL A 50 -12.519 -24.895 -13.076 1.00 41.25 C ATOM 768 CG1 VAL A 50 -13.061 -25.865 -12.032 1.00 15.52 C ATOM 769 CG2 VAL A 50 -12.647 -23.445 -12.621 1.00 15.52 C ATOM 0 H VAL A 50 -11.091 -23.522 -14.645 1.00 60.22 H new ATOM 0 HA VAL A 50 -10.483 -25.246 -12.471 1.00 11.40 H new ATOM 0 HB VAL A 50 -13.121 -25.016 -13.977 1.00 41.25 H new ATOM 0 HG11 VAL A 50 -14.100 -25.620 -11.812 1.00 15.52 H new ATOM 0 HG12 VAL A 50 -13.002 -26.883 -12.416 1.00 15.52 H new ATOM 0 HG13 VAL A 50 -12.469 -25.786 -11.120 1.00 15.52 H new ATOM 0 HG21 VAL A 50 -13.690 -23.226 -12.391 1.00 15.52 H new ATOM 0 HG22 VAL A 50 -12.039 -23.288 -11.730 1.00 15.52 H new ATOM 0 HG23 VAL A 50 -12.304 -22.783 -13.416 1.00 15.52 H new ATOM 779 N ALA A 51 -11.128 -26.596 -15.409 1.00 31.45 N ATOM 780 CA ALA A 51 -11.026 -27.821 -16.199 1.00 42.34 C ATOM 781 C ALA A 51 -9.616 -28.406 -16.113 1.00 31.41 C ATOM 782 O ALA A 51 -9.430 -29.619 -16.169 1.00 25.24 O ATOM 783 CB ALA A 51 -11.402 -27.547 -17.651 1.00 44.10 C ATOM 0 H ALA A 51 -11.340 -25.762 -15.957 1.00 31.45 H new ATOM 0 HA ALA A 51 -11.723 -28.552 -15.790 1.00 42.34 H new ATOM 0 HB1 ALA A 51 -11.321 -28.468 -18.228 1.00 44.10 H new ATOM 0 HB2 ALA A 51 -12.426 -27.178 -17.698 1.00 44.10 H new ATOM 0 HB3 ALA A 51 -10.727 -26.799 -18.067 1.00 44.10 H new ATOM 789 N LYS A 52 -8.629 -27.529 -16.000 1.00 53.45 N ATOM 790 CA LYS A 52 -7.241 -27.936 -15.804 1.00 42.14 C ATOM 791 C LYS A 52 -7.025 -28.363 -14.346 1.00 3.33 C ATOM 792 O LYS A 52 -6.438 -29.410 -14.065 1.00 33.40 O ATOM 793 CB LYS A 52 -6.312 -26.773 -16.189 1.00 40.33 C ATOM 794 CG LYS A 52 -4.823 -27.119 -16.204 1.00 30.34 C ATOM 795 CD LYS A 52 -3.999 -26.006 -16.859 1.00 44.14 C ATOM 796 CE LYS A 52 -2.506 -26.316 -16.867 1.00 31.32 C ATOM 797 NZ LYS A 52 -1.745 -25.316 -17.667 1.00 11.24 N ATOM 0 H LYS A 52 -8.764 -26.519 -16.041 1.00 53.45 H new ATOM 0 HA LYS A 52 -7.009 -28.789 -16.441 1.00 42.14 H new ATOM 0 HB2 LYS A 52 -6.596 -26.411 -17.177 1.00 40.33 H new ATOM 0 HB3 LYS A 52 -6.473 -25.952 -15.491 1.00 40.33 H new ATOM 0 HG2 LYS A 52 -4.475 -27.280 -15.184 1.00 30.34 H new ATOM 0 HG3 LYS A 52 -4.670 -28.053 -16.744 1.00 30.34 H new ATOM 0 HD2 LYS A 52 -4.342 -25.858 -17.883 1.00 44.14 H new ATOM 0 HD3 LYS A 52 -4.170 -25.070 -16.327 1.00 44.14 H new ATOM 0 HE2 LYS A 52 -2.130 -26.327 -15.844 1.00 31.32 H new ATOM 0 HE3 LYS A 52 -2.342 -27.312 -17.277 1.00 31.32 H new ATOM 0 HZ1 LYS A 52 -0.733 -25.556 -17.652 1.00 11.24 H new ATOM 0 HZ2 LYS A 52 -2.088 -25.324 -18.649 1.00 11.24 H new ATOM 0 HZ3 LYS A 52 -1.882 -24.369 -17.260 1.00 11.24 H new ATOM 811 N LEU A 53 -7.551 -27.552 -13.427 1.00 5.45 N ATOM 812 CA LEU A 53 -7.429 -27.800 -11.985 1.00 72.44 C ATOM 813 C LEU A 53 -8.052 -29.138 -11.580 1.00 43.14 C ATOM 814 O LEU A 53 -7.780 -29.647 -10.494 1.00 30.51 O ATOM 815 CB LEU A 53 -8.094 -26.666 -11.181 1.00 61.32 C ATOM 816 CG LEU A 53 -7.224 -25.423 -10.903 1.00 62.23 C ATOM 817 CD1 LEU A 53 -7.956 -24.461 -9.982 1.00 3.31 C ATOM 818 CD2 LEU A 53 -5.874 -25.823 -10.307 1.00 15.34 C ATOM 0 H LEU A 53 -8.073 -26.706 -13.658 1.00 5.45 H new ATOM 0 HA LEU A 53 -6.363 -27.835 -11.759 1.00 72.44 H new ATOM 0 HB2 LEU A 53 -8.987 -26.345 -11.717 1.00 61.32 H new ATOM 0 HB3 LEU A 53 -8.425 -27.073 -10.225 1.00 61.32 H new ATOM 0 HG LEU A 53 -7.035 -24.918 -11.850 1.00 62.23 H new ATOM 0 HD11 LEU A 53 -7.330 -23.589 -9.795 1.00 3.31 H new ATOM 0 HD12 LEU A 53 -8.887 -24.145 -10.452 1.00 3.31 H new ATOM 0 HD13 LEU A 53 -8.177 -24.958 -9.038 1.00 3.31 H new ATOM 0 HD21 LEU A 53 -5.279 -24.929 -10.120 1.00 15.34 H new ATOM 0 HD22 LEU A 53 -6.034 -26.355 -9.369 1.00 15.34 H new ATOM 0 HD23 LEU A 53 -5.345 -26.471 -11.006 1.00 15.34 H new ATOM 830 N THR A 54 -8.889 -29.707 -12.445 1.00 2.31 N ATOM 831 CA THR A 54 -9.549 -30.972 -12.138 1.00 74.25 C ATOM 832 C THR A 54 -8.571 -32.143 -12.291 1.00 12.24 C ATOM 833 O THR A 54 -8.949 -33.304 -12.104 1.00 11.50 O ATOM 834 CB THR A 54 -10.802 -31.204 -13.029 1.00 54.25 C ATOM 835 OG1 THR A 54 -11.697 -32.128 -12.395 1.00 2.43 O ATOM 836 CG2 THR A 54 -10.422 -31.753 -14.399 1.00 33.32 C ATOM 0 H THR A 54 -9.124 -29.315 -13.357 1.00 2.31 H new ATOM 0 HA THR A 54 -9.882 -30.918 -11.102 1.00 74.25 H new ATOM 0 HB THR A 54 -11.289 -30.238 -13.160 1.00 54.25 H new ATOM 0 HG1 THR A 54 -11.187 -32.887 -12.041 1.00 2.43 H new ATOM 0 HG21 THR A 54 -11.323 -31.903 -14.994 1.00 33.32 H new ATOM 0 HG22 THR A 54 -9.766 -31.045 -14.906 1.00 33.32 H new ATOM 0 HG23 THR A 54 -9.905 -32.705 -14.279 1.00 33.32 H new ATOM 844 N ASP A 55 -7.319 -31.834 -12.648 1.00 13.25 N ATOM 845 CA ASP A 55 -6.257 -32.844 -12.703 1.00 1.54 C ATOM 846 C ASP A 55 -5.251 -32.632 -11.571 1.00 20.51 C ATOM 847 O ASP A 55 -4.219 -31.980 -11.762 1.00 75.23 O ATOM 848 CB ASP A 55 -5.530 -32.817 -14.059 1.00 3.22 C ATOM 849 CG ASP A 55 -6.381 -33.347 -15.198 1.00 40.30 C ATOM 850 OD1 ASP A 55 -6.699 -34.556 -15.193 1.00 52.23 O ATOM 851 OD2 ASP A 55 -6.733 -32.570 -16.110 1.00 74.12 O ATOM 0 H ASP A 55 -7.017 -30.894 -12.903 1.00 13.25 H new ATOM 0 HA ASP A 55 -6.726 -33.820 -12.583 1.00 1.54 H new ATOM 0 HB2 ASP A 55 -5.229 -31.794 -14.283 1.00 3.22 H new ATOM 0 HB3 ASP A 55 -4.618 -33.409 -13.988 1.00 3.22 H new ATOM 856 N PRO A 56 -5.532 -33.178 -10.366 1.00 62.43 N ATOM 857 CA PRO A 56 -4.621 -33.063 -9.220 1.00 43.13 C ATOM 858 C PRO A 56 -3.382 -33.935 -9.400 1.00 2.34 C ATOM 859 O PRO A 56 -2.377 -33.754 -8.715 1.00 53.10 O ATOM 860 CB PRO A 56 -5.469 -33.547 -8.035 1.00 74.10 C ATOM 861 CG PRO A 56 -6.472 -34.471 -8.638 1.00 74.41 C ATOM 862 CD PRO A 56 -6.754 -33.939 -10.023 1.00 55.11 C ATOM 0 HA PRO A 56 -4.242 -32.050 -9.087 1.00 43.13 H new ATOM 0 HB2 PRO A 56 -4.856 -34.058 -7.292 1.00 74.10 H new ATOM 0 HB3 PRO A 56 -5.954 -32.713 -7.528 1.00 74.10 H new ATOM 0 HG2 PRO A 56 -6.086 -35.489 -8.683 1.00 74.41 H new ATOM 0 HG3 PRO A 56 -7.383 -34.502 -8.040 1.00 74.41 H new ATOM 0 HD2 PRO A 56 -6.934 -34.747 -10.732 1.00 55.11 H new ATOM 0 HD3 PRO A 56 -7.638 -33.302 -10.034 1.00 55.11 H new ATOM 870 N GLU A 57 -3.471 -34.880 -10.336 1.00 53.21 N ATOM 871 CA GLU A 57 -2.366 -35.771 -10.669 1.00 31.20 C ATOM 872 C GLU A 57 -1.106 -34.956 -10.971 1.00 11.32 C ATOM 873 O GLU A 57 -0.036 -35.216 -10.416 1.00 40.10 O ATOM 874 CB GLU A 57 -2.777 -36.648 -11.872 1.00 11.23 C ATOM 875 CG GLU A 57 -1.798 -37.766 -12.241 1.00 74.52 C ATOM 876 CD GLU A 57 -0.590 -37.284 -13.033 1.00 43.42 C ATOM 877 OE1 GLU A 57 -0.779 -36.583 -14.046 1.00 15.41 O ATOM 878 OE2 GLU A 57 0.551 -37.607 -12.645 1.00 10.41 O ATOM 0 H GLU A 57 -4.315 -35.047 -10.884 1.00 53.21 H new ATOM 0 HA GLU A 57 -2.139 -36.421 -9.824 1.00 31.20 H new ATOM 0 HB2 GLU A 57 -3.748 -37.095 -11.658 1.00 11.23 H new ATOM 0 HB3 GLU A 57 -2.908 -36.003 -12.741 1.00 11.23 H new ATOM 0 HG2 GLU A 57 -1.453 -38.251 -11.328 1.00 74.52 H new ATOM 0 HG3 GLU A 57 -2.325 -38.521 -12.823 1.00 74.52 H new ATOM 885 N SER A 58 -1.248 -33.954 -11.835 1.00 43.04 N ATOM 886 CA SER A 58 -0.127 -33.098 -12.206 1.00 14.11 C ATOM 887 C SER A 58 0.312 -32.221 -11.026 1.00 64.34 C ATOM 888 O SER A 58 1.492 -32.192 -10.674 1.00 15.34 O ATOM 889 CB SER A 58 -0.499 -32.223 -13.414 1.00 53.34 C ATOM 890 OG SER A 58 0.625 -31.504 -13.895 1.00 0.11 O ATOM 0 H SER A 58 -2.129 -33.716 -12.291 1.00 43.04 H new ATOM 0 HA SER A 58 0.711 -33.739 -12.481 1.00 14.11 H new ATOM 0 HB2 SER A 58 -0.900 -32.850 -14.210 1.00 53.34 H new ATOM 0 HB3 SER A 58 -1.286 -31.524 -13.131 1.00 53.34 H new ATOM 0 HG SER A 58 0.359 -30.958 -14.664 1.00 0.11 H new ATOM 896 N SER A 59 -0.648 -31.530 -10.402 1.00 11.31 N ATOM 897 CA SER A 59 -0.349 -30.605 -9.301 1.00 64.13 C ATOM 898 C SER A 59 0.419 -31.320 -8.185 1.00 74.10 C ATOM 899 O SER A 59 1.394 -30.790 -7.641 1.00 53.43 O ATOM 900 CB SER A 59 -1.646 -29.988 -8.747 1.00 5.10 C ATOM 901 OG SER A 59 -1.370 -29.027 -7.743 1.00 31.55 O ATOM 0 H SER A 59 -1.638 -31.593 -10.640 1.00 11.31 H new ATOM 0 HA SER A 59 0.278 -29.804 -9.691 1.00 64.13 H new ATOM 0 HB2 SER A 59 -2.204 -29.520 -9.558 1.00 5.10 H new ATOM 0 HB3 SER A 59 -2.279 -30.775 -8.337 1.00 5.10 H new ATOM 0 HG SER A 59 -1.781 -29.308 -6.899 1.00 31.55 H new ATOM 907 N ALA A 60 0.007 -32.553 -7.897 1.00 52.35 N ATOM 908 CA ALA A 60 0.622 -33.361 -6.844 1.00 44.05 C ATOM 909 C ALA A 60 2.100 -33.634 -7.130 1.00 65.01 C ATOM 910 O ALA A 60 2.836 -34.082 -6.250 1.00 55.43 O ATOM 911 CB ALA A 60 -0.136 -34.674 -6.682 1.00 33.33 C ATOM 0 H ALA A 60 -0.759 -33.019 -8.384 1.00 52.35 H new ATOM 0 HA ALA A 60 0.566 -32.795 -5.914 1.00 44.05 H new ATOM 0 HB1 ALA A 60 0.330 -35.268 -5.896 1.00 33.33 H new ATOM 0 HB2 ALA A 60 -1.172 -34.465 -6.414 1.00 33.33 H new ATOM 0 HB3 ALA A 60 -0.108 -35.228 -7.620 1.00 33.33 H new ATOM 917 N GLN A 61 2.523 -33.374 -8.363 1.00 51.35 N ATOM 918 CA GLN A 61 3.924 -33.540 -8.746 1.00 31.01 C ATOM 919 C GLN A 61 4.580 -32.177 -9.001 1.00 42.21 C ATOM 920 O GLN A 61 5.797 -32.032 -8.873 1.00 61.11 O ATOM 921 CB GLN A 61 4.023 -34.420 -10.003 1.00 62.35 C ATOM 922 CG GLN A 61 5.456 -34.751 -10.410 1.00 12.53 C ATOM 923 CD GLN A 61 5.538 -35.629 -11.648 1.00 33.44 C ATOM 924 OE1 GLN A 61 4.678 -35.570 -12.528 1.00 35.13 O ATOM 925 NE2 GLN A 61 6.571 -36.450 -11.725 1.00 62.21 N ATOM 0 H GLN A 61 1.917 -33.047 -9.115 1.00 51.35 H new ATOM 0 HA GLN A 61 4.453 -34.028 -7.927 1.00 31.01 H new ATOM 0 HB2 GLN A 61 3.481 -35.349 -9.829 1.00 62.35 H new ATOM 0 HB3 GLN A 61 3.528 -33.912 -10.831 1.00 62.35 H new ATOM 0 HG2 GLN A 61 5.998 -33.824 -10.593 1.00 12.53 H new ATOM 0 HG3 GLN A 61 5.955 -35.254 -9.582 1.00 12.53 H new ATOM 0 HE21 GLN A 61 7.263 -36.470 -10.976 1.00 62.21 H new ATOM 0 HE22 GLN A 61 6.676 -37.063 -12.533 1.00 62.21 H new ATOM 934 N ILE A 62 3.766 -31.177 -9.344 1.00 4.23 N ATOM 935 CA ILE A 62 4.271 -29.822 -9.586 1.00 32.12 C ATOM 936 C ILE A 62 4.735 -29.176 -8.280 1.00 0.54 C ATOM 937 O ILE A 62 5.854 -28.668 -8.188 1.00 12.44 O ATOM 938 CB ILE A 62 3.195 -28.920 -10.255 1.00 60.44 C ATOM 939 CG1 ILE A 62 2.793 -29.494 -11.623 1.00 42.11 C ATOM 940 CG2 ILE A 62 3.701 -27.482 -10.400 1.00 4.10 C ATOM 941 CD1 ILE A 62 1.709 -28.703 -12.328 1.00 43.34 C ATOM 0 H ILE A 62 2.758 -31.278 -9.460 1.00 4.23 H new ATOM 0 HA ILE A 62 5.118 -29.912 -10.266 1.00 32.12 H new ATOM 0 HB ILE A 62 2.314 -28.903 -9.613 1.00 60.44 H new ATOM 0 HG12 ILE A 62 3.675 -29.533 -12.263 1.00 42.11 H new ATOM 0 HG13 ILE A 62 2.451 -30.520 -11.489 1.00 42.11 H new ATOM 0 HG21 ILE A 62 2.931 -26.871 -10.870 1.00 4.10 H new ATOM 0 HG22 ILE A 62 3.934 -27.077 -9.415 1.00 4.10 H new ATOM 0 HG23 ILE A 62 4.599 -27.473 -11.018 1.00 4.10 H new ATOM 0 HD11 ILE A 62 1.481 -29.171 -13.286 1.00 43.34 H new ATOM 0 HD12 ILE A 62 0.811 -28.685 -11.710 1.00 43.34 H new ATOM 0 HD13 ILE A 62 2.054 -27.683 -12.496 1.00 43.34 H new ATOM 953 N ASP A 63 3.876 -29.219 -7.262 1.00 4.21 N ATOM 954 CA ASP A 63 4.194 -28.643 -5.949 1.00 24.12 C ATOM 955 C ASP A 63 4.283 -29.728 -4.884 1.00 32.11 C ATOM 956 O ASP A 63 4.626 -29.453 -3.733 1.00 51.03 O ATOM 957 CB ASP A 63 3.147 -27.591 -5.541 1.00 63.41 C ATOM 958 CG ASP A 63 3.299 -26.283 -6.306 1.00 3.22 C ATOM 959 OD1 ASP A 63 2.818 -26.192 -7.449 1.00 51.45 O ATOM 960 OD2 ASP A 63 3.915 -25.337 -5.766 1.00 1.22 O ATOM 0 H ASP A 63 2.952 -29.647 -7.318 1.00 4.21 H new ATOM 0 HA ASP A 63 5.165 -28.155 -6.030 1.00 24.12 H new ATOM 0 HB2 ASP A 63 2.148 -27.993 -5.712 1.00 63.41 H new ATOM 0 HB3 ASP A 63 3.233 -27.394 -4.472 1.00 63.41 H new ATOM 965 N GLY A 64 3.963 -30.959 -5.269 1.00 4.34 N ATOM 966 CA GLY A 64 4.037 -32.076 -4.342 1.00 4.15 C ATOM 967 C GLY A 64 2.896 -32.082 -3.340 1.00 21.32 C ATOM 968 O GLY A 64 2.852 -32.922 -2.438 1.00 74.55 O ATOM 0 H GLY A 64 3.653 -31.205 -6.209 1.00 4.34 H new ATOM 0 HA2 GLY A 64 4.027 -33.010 -4.904 1.00 4.15 H new ATOM 0 HA3 GLY A 64 4.985 -32.036 -3.806 1.00 4.15 H new ATOM 972 N VAL A 65 1.965 -31.147 -3.504 1.00 53.23 N ATOM 973 CA VAL A 65 0.830 -30.996 -2.596 1.00 5.12 C ATOM 974 C VAL A 65 -0.437 -30.691 -3.390 1.00 22.24 C ATOM 975 O VAL A 65 -0.398 -30.616 -4.618 1.00 34.45 O ATOM 976 CB VAL A 65 1.068 -29.861 -1.562 1.00 20.52 C ATOM 977 CG1 VAL A 65 2.248 -30.184 -0.646 1.00 63.22 C ATOM 978 CG2 VAL A 65 1.281 -28.521 -2.267 1.00 11.54 C ATOM 0 H VAL A 65 1.975 -30.473 -4.269 1.00 53.23 H new ATOM 0 HA VAL A 65 0.717 -31.936 -2.055 1.00 5.12 H new ATOM 0 HB VAL A 65 0.175 -29.784 -0.941 1.00 20.52 H new ATOM 0 HG11 VAL A 65 2.389 -29.371 0.066 1.00 63.22 H new ATOM 0 HG12 VAL A 65 2.047 -31.109 -0.106 1.00 63.22 H new ATOM 0 HG13 VAL A 65 3.151 -30.303 -1.244 1.00 63.22 H new ATOM 0 HG21 VAL A 65 1.446 -27.741 -1.524 1.00 11.54 H new ATOM 0 HG22 VAL A 65 2.150 -28.588 -2.921 1.00 11.54 H new ATOM 0 HG23 VAL A 65 0.399 -28.277 -2.859 1.00 11.54 H new ATOM 988 N VAL A 66 -1.550 -30.526 -2.682 1.00 30.32 N ATOM 989 CA VAL A 66 -2.813 -30.132 -3.301 1.00 1.42 C ATOM 990 C VAL A 66 -3.583 -29.195 -2.364 1.00 32.13 C ATOM 991 O VAL A 66 -4.182 -29.626 -1.373 1.00 51.15 O ATOM 992 CB VAL A 66 -3.678 -31.367 -3.691 1.00 14.41 C ATOM 993 CG1 VAL A 66 -3.891 -32.302 -2.498 1.00 5.23 C ATOM 994 CG2 VAL A 66 -5.018 -30.932 -4.286 1.00 34.45 C ATOM 0 H VAL A 66 -1.603 -30.660 -1.672 1.00 30.32 H new ATOM 0 HA VAL A 66 -2.586 -29.601 -4.225 1.00 1.42 H new ATOM 0 HB VAL A 66 -3.131 -31.922 -4.453 1.00 14.41 H new ATOM 0 HG11 VAL A 66 -4.499 -33.153 -2.806 1.00 5.23 H new ATOM 0 HG12 VAL A 66 -2.926 -32.657 -2.137 1.00 5.23 H new ATOM 0 HG13 VAL A 66 -4.401 -31.763 -1.699 1.00 5.23 H new ATOM 0 HG21 VAL A 66 -5.602 -31.814 -4.550 1.00 34.45 H new ATOM 0 HG22 VAL A 66 -5.566 -30.339 -3.554 1.00 34.45 H new ATOM 0 HG23 VAL A 66 -4.842 -30.333 -5.179 1.00 34.45 H new ATOM 1004 N SER A 67 -3.499 -27.899 -2.640 1.00 53.53 N ATOM 1005 CA SER A 67 -4.140 -26.886 -1.809 1.00 63.30 C ATOM 1006 C SER A 67 -4.626 -25.707 -2.658 1.00 25.11 C ATOM 1007 O SER A 67 -4.326 -25.629 -3.844 1.00 45.11 O ATOM 1008 CB SER A 67 -3.168 -26.431 -0.715 1.00 44.10 C ATOM 1009 OG SER A 67 -2.778 -27.531 0.093 1.00 1.41 O ATOM 0 H SER A 67 -2.989 -27.522 -3.439 1.00 53.53 H new ATOM 0 HA SER A 67 -5.020 -27.319 -1.332 1.00 63.30 H new ATOM 0 HB2 SER A 67 -2.288 -25.976 -1.169 1.00 44.10 H new ATOM 0 HB3 SER A 67 -3.639 -25.667 -0.097 1.00 44.10 H new ATOM 0 HG SER A 67 -2.156 -27.224 0.786 1.00 1.41 H new ATOM 1015 N LYS A 68 -5.358 -24.779 -2.037 1.00 41.35 N ATOM 1016 CA LYS A 68 -5.965 -23.653 -2.756 1.00 53.40 C ATOM 1017 C LYS A 68 -4.928 -22.820 -3.514 1.00 61.41 C ATOM 1018 O LYS A 68 -5.258 -22.166 -4.503 1.00 72.23 O ATOM 1019 CB LYS A 68 -6.733 -22.736 -1.789 1.00 10.32 C ATOM 1020 CG LYS A 68 -7.855 -23.429 -1.019 1.00 71.13 C ATOM 1021 CD LYS A 68 -8.694 -22.432 -0.214 1.00 22.42 C ATOM 1022 CE LYS A 68 -7.844 -21.612 0.759 1.00 22.41 C ATOM 1023 NZ LYS A 68 -7.188 -22.462 1.789 1.00 5.02 N ATOM 0 H LYS A 68 -5.546 -24.784 -1.034 1.00 41.35 H new ATOM 0 HA LYS A 68 -6.653 -24.087 -3.481 1.00 53.40 H new ATOM 0 HB2 LYS A 68 -6.028 -22.310 -1.075 1.00 10.32 H new ATOM 0 HB3 LYS A 68 -7.156 -21.905 -2.354 1.00 10.32 H new ATOM 0 HG2 LYS A 68 -8.498 -23.964 -1.718 1.00 71.13 H new ATOM 0 HG3 LYS A 68 -7.428 -24.172 -0.345 1.00 71.13 H new ATOM 0 HD2 LYS A 68 -9.210 -21.759 -0.898 1.00 22.42 H new ATOM 0 HD3 LYS A 68 -9.461 -22.971 0.342 1.00 22.42 H new ATOM 0 HE2 LYS A 68 -7.082 -21.067 0.202 1.00 22.41 H new ATOM 0 HE3 LYS A 68 -8.473 -20.869 1.250 1.00 22.41 H new ATOM 0 HZ1 LYS A 68 -6.665 -21.859 2.455 1.00 5.02 H new ATOM 0 HZ2 LYS A 68 -7.911 -23.002 2.306 1.00 5.02 H new ATOM 0 HZ3 LYS A 68 -6.529 -23.120 1.327 1.00 5.02 H new ATOM 1037 N ASP A 69 -3.682 -22.843 -3.056 1.00 15.13 N ATOM 1038 CA ASP A 69 -2.632 -22.014 -3.649 1.00 73.13 C ATOM 1039 C ASP A 69 -2.272 -22.479 -5.060 1.00 2.11 C ATOM 1040 O ASP A 69 -1.727 -21.698 -5.846 1.00 71.50 O ATOM 1041 CB ASP A 69 -1.380 -21.981 -2.760 1.00 3.14 C ATOM 1042 CG ASP A 69 -0.804 -23.361 -2.493 1.00 33.44 C ATOM 1043 OD1 ASP A 69 -1.318 -24.051 -1.586 1.00 3.03 O ATOM 1044 OD2 ASP A 69 0.164 -23.758 -3.177 1.00 53.11 O ATOM 0 H ASP A 69 -3.371 -23.424 -2.278 1.00 15.13 H new ATOM 0 HA ASP A 69 -3.029 -21.002 -3.722 1.00 73.13 H new ATOM 0 HB2 ASP A 69 -0.620 -21.362 -3.236 1.00 3.14 H new ATOM 0 HB3 ASP A 69 -1.628 -21.507 -1.810 1.00 3.14 H new ATOM 1049 N GLU A 70 -2.583 -23.733 -5.393 1.00 14.54 N ATOM 1050 CA GLU A 70 -2.358 -24.220 -6.755 1.00 21.21 C ATOM 1051 C GLU A 70 -3.295 -23.488 -7.711 1.00 20.22 C ATOM 1052 O GLU A 70 -2.910 -23.122 -8.822 1.00 62.31 O ATOM 1053 CB GLU A 70 -2.563 -25.741 -6.858 1.00 43.43 C ATOM 1054 CG GLU A 70 -4.014 -26.190 -6.735 1.00 54.45 C ATOM 1055 CD GLU A 70 -4.168 -27.700 -6.794 1.00 72.43 C ATOM 1056 OE1 GLU A 70 -3.635 -28.383 -5.896 1.00 53.25 O ATOM 1057 OE2 GLU A 70 -4.820 -28.204 -7.732 1.00 33.23 O ATOM 0 H GLU A 70 -2.984 -24.418 -4.752 1.00 14.54 H new ATOM 0 HA GLU A 70 -1.322 -24.017 -7.027 1.00 21.21 H new ATOM 0 HB2 GLU A 70 -2.169 -26.085 -7.814 1.00 43.43 H new ATOM 0 HB3 GLU A 70 -1.977 -26.228 -6.078 1.00 43.43 H new ATOM 0 HG2 GLU A 70 -4.425 -25.824 -5.794 1.00 54.45 H new ATOM 0 HG3 GLU A 70 -4.599 -25.738 -7.536 1.00 54.45 H new ATOM 1064 N ILE A 71 -4.517 -23.236 -7.238 1.00 21.23 N ATOM 1065 CA ILE A 71 -5.525 -22.529 -8.019 1.00 21.42 C ATOM 1066 C ILE A 71 -4.953 -21.204 -8.509 1.00 5.33 C ATOM 1067 O ILE A 71 -5.037 -20.872 -9.692 1.00 63.22 O ATOM 1068 CB ILE A 71 -6.801 -22.245 -7.179 1.00 25.30 C ATOM 1069 CG1 ILE A 71 -7.406 -23.554 -6.637 1.00 51.32 C ATOM 1070 CG2 ILE A 71 -7.832 -21.469 -8.004 1.00 34.21 C ATOM 1071 CD1 ILE A 71 -8.594 -23.347 -5.719 1.00 41.44 C ATOM 0 H ILE A 71 -4.831 -23.515 -6.309 1.00 21.23 H new ATOM 0 HA ILE A 71 -5.799 -23.163 -8.862 1.00 21.42 H new ATOM 0 HB ILE A 71 -6.514 -21.629 -6.327 1.00 25.30 H new ATOM 0 HG12 ILE A 71 -7.713 -24.176 -7.478 1.00 51.32 H new ATOM 0 HG13 ILE A 71 -6.634 -24.104 -6.098 1.00 51.32 H new ATOM 0 HG21 ILE A 71 -8.717 -21.281 -7.396 1.00 34.21 H new ATOM 0 HG22 ILE A 71 -7.402 -20.519 -8.323 1.00 34.21 H new ATOM 0 HG23 ILE A 71 -8.111 -22.054 -8.881 1.00 34.21 H new ATOM 0 HD11 ILE A 71 -8.964 -24.314 -5.379 1.00 41.44 H new ATOM 0 HD12 ILE A 71 -8.289 -22.752 -4.858 1.00 41.44 H new ATOM 0 HD13 ILE A 71 -9.385 -22.826 -6.259 1.00 41.44 H new ATOM 1083 N GLU A 72 -4.336 -20.480 -7.580 1.00 15.22 N ATOM 1084 CA GLU A 72 -3.752 -19.173 -7.861 1.00 53.51 C ATOM 1085 C GLU A 72 -2.721 -19.278 -8.985 1.00 55.15 C ATOM 1086 O GLU A 72 -2.704 -18.468 -9.916 1.00 64.43 O ATOM 1087 CB GLU A 72 -3.087 -18.611 -6.593 1.00 52.51 C ATOM 1088 CG GLU A 72 -3.933 -18.765 -5.329 1.00 33.15 C ATOM 1089 CD GLU A 72 -3.308 -18.103 -4.110 1.00 43.24 C ATOM 1090 OE1 GLU A 72 -2.241 -18.563 -3.657 1.00 15.35 O ATOM 1091 OE2 GLU A 72 -3.875 -17.112 -3.600 1.00 52.10 O ATOM 0 H GLU A 72 -4.227 -20.783 -6.612 1.00 15.22 H new ATOM 0 HA GLU A 72 -4.547 -18.498 -8.178 1.00 53.51 H new ATOM 0 HB2 GLU A 72 -2.132 -19.114 -6.442 1.00 52.51 H new ATOM 0 HB3 GLU A 72 -2.870 -17.554 -6.747 1.00 52.51 H new ATOM 0 HG2 GLU A 72 -4.919 -18.334 -5.504 1.00 33.15 H new ATOM 0 HG3 GLU A 72 -4.080 -19.825 -5.124 1.00 33.15 H new ATOM 1098 N LYS A 73 -1.880 -20.305 -8.899 1.00 41.33 N ATOM 1099 CA LYS A 73 -0.783 -20.491 -9.843 1.00 45.24 C ATOM 1100 C LYS A 73 -1.302 -20.823 -11.241 1.00 24.45 C ATOM 1101 O LYS A 73 -0.762 -20.349 -12.244 1.00 4.23 O ATOM 1102 CB LYS A 73 0.155 -21.600 -9.351 1.00 73.41 C ATOM 1103 CG LYS A 73 0.734 -21.330 -7.965 1.00 61.01 C ATOM 1104 CD LYS A 73 1.660 -22.452 -7.505 1.00 25.10 C ATOM 1105 CE LYS A 73 2.861 -22.610 -8.429 1.00 44.05 C ATOM 1106 NZ LYS A 73 3.797 -23.658 -7.950 1.00 4.13 N ATOM 0 H LYS A 73 -1.939 -21.026 -8.180 1.00 41.33 H new ATOM 0 HA LYS A 73 -0.230 -19.554 -9.904 1.00 45.24 H new ATOM 0 HB2 LYS A 73 -0.389 -22.545 -9.332 1.00 73.41 H new ATOM 0 HB3 LYS A 73 0.973 -21.717 -10.062 1.00 73.41 H new ATOM 0 HG2 LYS A 73 1.284 -20.389 -7.979 1.00 61.01 H new ATOM 0 HG3 LYS A 73 -0.079 -21.214 -7.248 1.00 61.01 H new ATOM 0 HD2 LYS A 73 2.006 -22.246 -6.492 1.00 25.10 H new ATOM 0 HD3 LYS A 73 1.105 -23.389 -7.468 1.00 25.10 H new ATOM 0 HE2 LYS A 73 2.516 -22.863 -9.432 1.00 44.05 H new ATOM 0 HE3 LYS A 73 3.389 -21.659 -8.504 1.00 44.05 H new ATOM 0 HZ1 LYS A 73 4.717 -23.544 -8.422 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 3.922 -23.568 -6.921 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 3.409 -24.597 -8.171 1.00 4.13 H new ATOM 1120 N PHE A 74 -2.348 -21.643 -11.303 1.00 11.22 N ATOM 1121 CA PHE A 74 -2.952 -22.025 -12.580 1.00 22.20 C ATOM 1122 C PHE A 74 -3.682 -20.839 -13.206 1.00 73.02 C ATOM 1123 O PHE A 74 -3.677 -20.674 -14.425 1.00 45.14 O ATOM 1124 CB PHE A 74 -3.906 -23.217 -12.398 1.00 10.05 C ATOM 1125 CG PHE A 74 -3.200 -24.545 -12.227 1.00 14.54 C ATOM 1126 CD1 PHE A 74 -2.319 -24.752 -11.173 1.00 44.33 C ATOM 1127 CD2 PHE A 74 -3.423 -25.586 -13.117 1.00 44.31 C ATOM 1128 CE1 PHE A 74 -1.675 -25.965 -11.012 1.00 1.45 C ATOM 1129 CE2 PHE A 74 -2.780 -26.802 -12.962 1.00 73.32 C ATOM 1130 CZ PHE A 74 -1.906 -26.991 -11.908 1.00 62.40 C ATOM 0 H PHE A 74 -2.796 -22.056 -10.485 1.00 11.22 H new ATOM 0 HA PHE A 74 -2.154 -22.331 -13.256 1.00 22.20 H new ATOM 0 HB2 PHE A 74 -4.536 -23.036 -11.527 1.00 10.05 H new ATOM 0 HB3 PHE A 74 -4.567 -23.276 -13.263 1.00 10.05 H new ATOM 0 HD1 PHE A 74 -2.134 -23.954 -10.469 1.00 44.33 H new ATOM 0 HD2 PHE A 74 -4.107 -25.446 -13.941 1.00 44.31 H new ATOM 0 HE1 PHE A 74 -0.993 -26.110 -10.187 1.00 1.45 H new ATOM 0 HE2 PHE A 74 -2.961 -27.602 -13.664 1.00 73.32 H new ATOM 0 HZ PHE A 74 -1.404 -27.939 -11.785 1.00 62.40 H new ATOM 1140 N ILE A 75 -4.298 -20.008 -12.364 1.00 65.43 N ATOM 1141 CA ILE A 75 -4.960 -18.789 -12.832 1.00 31.44 C ATOM 1142 C ILE A 75 -3.939 -17.838 -13.458 1.00 22.43 C ATOM 1143 O ILE A 75 -4.133 -17.331 -14.567 1.00 22.03 O ATOM 1144 CB ILE A 75 -5.691 -18.059 -11.673 1.00 14.34 C ATOM 1145 CG1 ILE A 75 -6.836 -18.924 -11.132 1.00 51.04 C ATOM 1146 CG2 ILE A 75 -6.215 -16.697 -12.130 1.00 31.23 C ATOM 1147 CD1 ILE A 75 -7.513 -18.339 -9.911 1.00 30.54 C ATOM 0 H ILE A 75 -4.352 -20.156 -11.356 1.00 65.43 H new ATOM 0 HA ILE A 75 -5.698 -19.084 -13.578 1.00 31.44 H new ATOM 0 HB ILE A 75 -4.974 -17.892 -10.870 1.00 14.34 H new ATOM 0 HG12 ILE A 75 -7.579 -19.062 -11.918 1.00 51.04 H new ATOM 0 HG13 ILE A 75 -6.448 -19.912 -10.884 1.00 51.04 H new ATOM 0 HG21 ILE A 75 -6.723 -16.206 -11.300 1.00 31.23 H new ATOM 0 HG22 ILE A 75 -5.381 -16.079 -12.462 1.00 31.23 H new ATOM 0 HG23 ILE A 75 -6.915 -16.834 -12.954 1.00 31.23 H new ATOM 0 HD11 ILE A 75 -8.312 -19.004 -9.584 1.00 30.54 H new ATOM 0 HD12 ILE A 75 -6.783 -18.227 -9.109 1.00 30.54 H new ATOM 0 HD13 ILE A 75 -7.932 -17.364 -10.159 1.00 30.54 H new ATOM 1159 N ALA A 76 -2.842 -17.618 -12.738 1.00 52.44 N ATOM 1160 CA ALA A 76 -1.793 -16.695 -13.171 1.00 4.04 C ATOM 1161 C ALA A 76 -1.254 -17.068 -14.552 1.00 21.11 C ATOM 1162 O ALA A 76 -0.813 -16.199 -15.309 1.00 25.25 O ATOM 1163 CB ALA A 76 -0.661 -16.664 -12.151 1.00 5.44 C ATOM 0 H ALA A 76 -2.654 -18.071 -11.843 1.00 52.44 H new ATOM 0 HA ALA A 76 -2.233 -15.700 -13.243 1.00 4.04 H new ATOM 0 HB1 ALA A 76 0.112 -15.973 -12.487 1.00 5.44 H new ATOM 0 HB2 ALA A 76 -1.049 -16.334 -11.187 1.00 5.44 H new ATOM 0 HB3 ALA A 76 -0.236 -17.662 -12.049 1.00 5.44 H new ATOM 1169 N ASP A 77 -1.310 -18.362 -14.872 1.00 61.03 N ATOM 1170 CA ASP A 77 -0.804 -18.878 -16.148 1.00 42.01 C ATOM 1171 C ASP A 77 -1.495 -18.186 -17.322 1.00 61.43 C ATOM 1172 O ASP A 77 -0.897 -17.978 -18.380 1.00 2.14 O ATOM 1173 CB ASP A 77 -1.029 -20.395 -16.229 1.00 63.45 C ATOM 1174 CG ASP A 77 -0.403 -21.020 -17.471 1.00 43.21 C ATOM 1175 OD1 ASP A 77 0.795 -21.372 -17.418 1.00 31.32 O ATOM 1176 OD2 ASP A 77 -1.104 -21.173 -18.495 1.00 14.33 O ATOM 0 H ASP A 77 -1.704 -19.078 -14.261 1.00 61.03 H new ATOM 0 HA ASP A 77 0.265 -18.671 -16.204 1.00 42.01 H new ATOM 0 HB2 ASP A 77 -0.611 -20.868 -15.340 1.00 63.45 H new ATOM 0 HB3 ASP A 77 -2.100 -20.600 -16.225 1.00 63.45 H new ATOM 1181 N VAL A 78 -2.744 -17.784 -17.104 1.00 0.21 N ATOM 1182 CA VAL A 78 -3.557 -17.154 -18.145 1.00 54.41 C ATOM 1183 C VAL A 78 -3.250 -15.651 -18.218 1.00 22.23 C ATOM 1184 O VAL A 78 -4.127 -14.828 -18.474 1.00 42.11 O ATOM 1185 CB VAL A 78 -5.069 -17.386 -17.869 1.00 74.43 C ATOM 1186 CG1 VAL A 78 -5.927 -17.000 -19.077 1.00 55.44 C ATOM 1187 CG2 VAL A 78 -5.318 -18.839 -17.467 1.00 24.11 C ATOM 0 H VAL A 78 -3.220 -17.884 -16.208 1.00 0.21 H new ATOM 0 HA VAL A 78 -3.309 -17.609 -19.104 1.00 54.41 H new ATOM 0 HB VAL A 78 -5.362 -16.740 -17.042 1.00 74.43 H new ATOM 0 HG11 VAL A 78 -6.978 -17.175 -18.848 1.00 55.44 H new ATOM 0 HG12 VAL A 78 -5.777 -15.945 -19.308 1.00 55.44 H new ATOM 0 HG13 VAL A 78 -5.637 -17.604 -19.937 1.00 55.44 H new ATOM 0 HG21 VAL A 78 -6.381 -18.987 -17.277 1.00 24.11 H new ATOM 0 HG22 VAL A 78 -4.998 -19.499 -18.273 1.00 24.11 H new ATOM 0 HG23 VAL A 78 -4.752 -19.069 -16.564 1.00 24.11 H new ATOM 1197 N THR A 79 -1.980 -15.314 -17.982 1.00 30.41 N ATOM 1198 CA THR A 79 -1.494 -13.931 -18.036 1.00 54.12 C ATOM 1199 C THR A 79 -2.144 -13.079 -16.940 1.00 71.50 C ATOM 1200 O THR A 79 -2.073 -11.848 -16.965 1.00 33.50 O ATOM 1201 CB THR A 79 -1.752 -13.296 -19.430 1.00 72.30 C ATOM 1202 OG1 THR A 79 -1.446 -14.250 -20.462 1.00 53.21 O ATOM 1203 CG2 THR A 79 -0.898 -12.045 -19.642 1.00 22.22 C ATOM 0 H THR A 79 -1.257 -15.994 -17.747 1.00 30.41 H new ATOM 0 HA THR A 79 -0.418 -13.956 -17.866 1.00 54.12 H new ATOM 0 HB THR A 79 -2.803 -13.011 -19.476 1.00 72.30 H new ATOM 0 HG1 THR A 79 -1.611 -13.847 -21.340 1.00 53.21 H new ATOM 0 HG21 THR A 79 -1.104 -11.627 -20.627 1.00 22.22 H new ATOM 0 HG22 THR A 79 -1.138 -11.307 -18.877 1.00 22.22 H new ATOM 0 HG23 THR A 79 0.157 -12.309 -19.573 1.00 22.22 H new ATOM 1211 N LYS A 80 -2.739 -13.743 -15.951 1.00 61.35 N ATOM 1212 CA LYS A 80 -3.398 -13.039 -14.855 1.00 2.22 C ATOM 1213 C LYS A 80 -2.358 -12.319 -14.002 1.00 73.41 C ATOM 1214 O LYS A 80 -2.654 -11.293 -13.386 1.00 21.42 O ATOM 1215 CB LYS A 80 -4.224 -14.004 -13.987 1.00 2.02 C ATOM 1216 CG LYS A 80 -5.107 -13.301 -12.959 1.00 21.24 C ATOM 1217 CD LYS A 80 -6.101 -12.363 -13.640 1.00 33.52 C ATOM 1218 CE LYS A 80 -6.862 -11.494 -12.650 1.00 30.34 C ATOM 1219 NZ LYS A 80 -5.955 -10.727 -11.758 1.00 71.14 N ATOM 0 H LYS A 80 -2.778 -14.760 -15.887 1.00 61.35 H new ATOM 0 HA LYS A 80 -4.083 -12.307 -15.283 1.00 2.22 H new ATOM 0 HB2 LYS A 80 -4.852 -14.615 -14.635 1.00 2.02 H new ATOM 0 HB3 LYS A 80 -3.547 -14.682 -13.468 1.00 2.02 H new ATOM 0 HG2 LYS A 80 -5.647 -14.043 -12.370 1.00 21.24 H new ATOM 0 HG3 LYS A 80 -4.484 -12.735 -12.266 1.00 21.24 H new ATOM 0 HD2 LYS A 80 -5.567 -11.723 -14.343 1.00 33.52 H new ATOM 0 HD3 LYS A 80 -6.811 -12.952 -14.220 1.00 33.52 H new ATOM 0 HE2 LYS A 80 -7.502 -10.801 -13.196 1.00 30.34 H new ATOM 0 HE3 LYS A 80 -7.516 -12.123 -12.046 1.00 30.34 H new ATOM 0 HZ1 LYS A 80 -6.506 -10.028 -11.220 1.00 71.14 H new ATOM 0 HZ2 LYS A 80 -5.484 -11.379 -11.098 1.00 71.14 H new ATOM 0 HZ3 LYS A 80 -5.238 -10.237 -12.330 1.00 71.14 H new ATOM 1233 N ASP A 81 -1.144 -12.876 -13.992 1.00 15.43 N ATOM 1234 CA ASP A 81 -0.007 -12.325 -13.247 1.00 70.42 C ATOM 1235 C ASP A 81 -0.271 -12.377 -11.741 1.00 63.31 C ATOM 1236 O ASP A 81 0.328 -13.179 -11.018 1.00 51.31 O ATOM 1237 CB ASP A 81 0.289 -10.883 -13.695 1.00 15.35 C ATOM 1238 CG ASP A 81 1.580 -10.332 -13.106 1.00 71.41 C ATOM 1239 OD1 ASP A 81 2.663 -10.634 -13.649 1.00 21.22 O ATOM 1240 OD2 ASP A 81 1.518 -9.573 -12.115 1.00 53.32 O ATOM 0 H ASP A 81 -0.920 -13.729 -14.505 1.00 15.43 H new ATOM 0 HA ASP A 81 0.869 -12.937 -13.462 1.00 70.42 H new ATOM 0 HB2 ASP A 81 0.349 -10.851 -14.783 1.00 15.35 H new ATOM 0 HB3 ASP A 81 -0.541 -10.240 -13.403 1.00 15.35 H new ATOM 1245 N GLU A 82 -1.181 -11.529 -11.281 1.00 51.11 N ATOM 1246 CA GLU A 82 -1.594 -11.499 -9.884 1.00 23.24 C ATOM 1247 C GLU A 82 -3.022 -12.047 -9.768 1.00 62.30 C ATOM 1248 O GLU A 82 -3.981 -11.382 -10.161 1.00 24.41 O ATOM 1249 CB GLU A 82 -1.488 -10.058 -9.348 1.00 2.34 C ATOM 1250 CG GLU A 82 -1.849 -9.880 -7.869 1.00 51.23 C ATOM 1251 CD GLU A 82 -3.342 -9.697 -7.621 1.00 42.24 C ATOM 1252 OE1 GLU A 82 -3.985 -8.933 -8.373 1.00 21.23 O ATOM 1253 OE2 GLU A 82 -3.874 -10.299 -6.668 1.00 14.04 O ATOM 0 H GLU A 82 -1.655 -10.841 -11.867 1.00 51.11 H new ATOM 0 HA GLU A 82 -0.941 -12.128 -9.280 1.00 23.24 H new ATOM 0 HB2 GLU A 82 -0.468 -9.705 -9.501 1.00 2.34 H new ATOM 0 HB3 GLU A 82 -2.139 -9.418 -9.943 1.00 2.34 H new ATOM 0 HG2 GLU A 82 -1.501 -10.750 -7.312 1.00 51.23 H new ATOM 0 HG3 GLU A 82 -1.315 -9.015 -7.475 1.00 51.23 H new ATOM 1260 N PRO A 83 -3.171 -13.295 -9.283 1.00 41.20 N ATOM 1261 CA PRO A 83 -4.478 -13.925 -9.090 1.00 1.43 C ATOM 1262 C PRO A 83 -5.099 -13.533 -7.748 1.00 63.44 C ATOM 1263 O PRO A 83 -4.626 -13.949 -6.688 1.00 23.54 O ATOM 1264 CB PRO A 83 -4.136 -15.418 -9.132 1.00 4.40 C ATOM 1265 CG PRO A 83 -2.759 -15.503 -8.560 1.00 51.24 C ATOM 1266 CD PRO A 83 -2.070 -14.196 -8.887 1.00 42.23 C ATOM 0 HA PRO A 83 -5.215 -13.626 -9.835 1.00 1.43 H new ATOM 0 HB2 PRO A 83 -4.845 -16.004 -8.548 1.00 4.40 H new ATOM 0 HB3 PRO A 83 -4.167 -15.804 -10.151 1.00 4.40 H new ATOM 0 HG2 PRO A 83 -2.797 -15.661 -7.482 1.00 51.24 H new ATOM 0 HG3 PRO A 83 -2.214 -16.345 -8.987 1.00 51.24 H new ATOM 0 HD2 PRO A 83 -1.526 -13.806 -8.026 1.00 42.23 H new ATOM 0 HD3 PRO A 83 -1.346 -14.318 -9.693 1.00 42.23 H new ATOM 1274 N THR A 84 -6.149 -12.728 -7.801 1.00 62.44 N ATOM 1275 CA THR A 84 -6.761 -12.174 -6.603 1.00 64.50 C ATOM 1276 C THR A 84 -7.880 -13.074 -6.065 1.00 62.30 C ATOM 1277 O THR A 84 -8.312 -14.038 -6.723 1.00 22.53 O ATOM 1278 CB THR A 84 -7.311 -10.749 -6.872 1.00 74.30 C ATOM 1279 OG1 THR A 84 -7.702 -10.124 -5.643 1.00 4.04 O ATOM 1280 CG2 THR A 84 -8.497 -10.771 -7.829 1.00 32.20 C ATOM 0 H THR A 84 -6.599 -12.442 -8.670 1.00 62.44 H new ATOM 0 HA THR A 84 -5.981 -12.117 -5.844 1.00 64.50 H new ATOM 0 HB THR A 84 -6.508 -10.176 -7.337 1.00 74.30 H new ATOM 0 HG1 THR A 84 -8.045 -9.225 -5.828 1.00 4.04 H new ATOM 0 HG21 THR A 84 -8.853 -9.753 -7.991 1.00 32.20 H new ATOM 0 HG22 THR A 84 -8.189 -11.204 -8.781 1.00 32.20 H new ATOM 0 HG23 THR A 84 -9.299 -11.372 -7.400 1.00 32.20 H new ATOM 1288 N ALA A 85 -8.346 -12.739 -4.860 1.00 11.33 N ATOM 1289 CA ALA A 85 -9.390 -13.498 -4.179 1.00 53.25 C ATOM 1290 C ALA A 85 -10.615 -13.661 -5.072 1.00 55.44 C ATOM 1291 O ALA A 85 -11.299 -14.681 -5.016 1.00 52.34 O ATOM 1292 CB ALA A 85 -9.769 -12.819 -2.867 1.00 13.24 C ATOM 0 H ALA A 85 -8.009 -11.934 -4.332 1.00 11.33 H new ATOM 0 HA ALA A 85 -9.000 -14.491 -3.957 1.00 53.25 H new ATOM 0 HB1 ALA A 85 -10.549 -13.397 -2.370 1.00 13.24 H new ATOM 0 HB2 ALA A 85 -8.893 -12.761 -2.221 1.00 13.24 H new ATOM 0 HB3 ALA A 85 -10.137 -11.813 -3.071 1.00 13.24 H new ATOM 1298 N GLN A 86 -10.874 -12.652 -5.902 1.00 34.21 N ATOM 1299 CA GLN A 86 -11.965 -12.705 -6.874 1.00 11.51 C ATOM 1300 C GLN A 86 -11.807 -13.921 -7.782 1.00 50.40 C ATOM 1301 O GLN A 86 -12.714 -14.751 -7.905 1.00 71.31 O ATOM 1302 CB GLN A 86 -11.974 -11.431 -7.732 1.00 50.03 C ATOM 1303 CG GLN A 86 -12.837 -11.533 -8.989 1.00 41.24 C ATOM 1304 CD GLN A 86 -12.559 -10.418 -9.979 1.00 21.50 C ATOM 1305 OE1 GLN A 86 -13.202 -9.369 -9.950 1.00 41.43 O ATOM 1306 NE2 GLN A 86 -11.593 -10.635 -10.861 1.00 55.22 N ATOM 0 H GLN A 86 -10.340 -11.783 -5.921 1.00 34.21 H new ATOM 0 HA GLN A 86 -12.906 -12.782 -6.329 1.00 11.51 H new ATOM 0 HB2 GLN A 86 -12.332 -10.599 -7.125 1.00 50.03 H new ATOM 0 HB3 GLN A 86 -10.951 -11.195 -8.025 1.00 50.03 H new ATOM 0 HG2 GLN A 86 -12.659 -12.494 -9.471 1.00 41.24 H new ATOM 0 HG3 GLN A 86 -13.889 -11.509 -8.706 1.00 41.24 H new ATOM 0 HE21 GLN A 86 -11.083 -11.518 -10.852 1.00 55.22 H new ATOM 0 HE22 GLN A 86 -11.360 -9.918 -11.548 1.00 55.22 H new ATOM 1315 N ASP A 87 -10.636 -14.018 -8.402 1.00 24.32 N ATOM 1316 CA ASP A 87 -10.358 -15.069 -9.373 1.00 32.24 C ATOM 1317 C ASP A 87 -10.429 -16.426 -8.695 1.00 42.21 C ATOM 1318 O ASP A 87 -11.116 -17.336 -9.169 1.00 5.42 O ATOM 1319 CB ASP A 87 -8.974 -14.874 -10.006 1.00 62.23 C ATOM 1320 CG ASP A 87 -8.730 -13.445 -10.460 1.00 31.03 C ATOM 1321 OD1 ASP A 87 -9.596 -12.875 -11.160 1.00 14.52 O ATOM 1322 OD2 ASP A 87 -7.667 -12.887 -10.115 1.00 21.13 O ATOM 0 H ASP A 87 -9.859 -13.376 -8.247 1.00 24.32 H new ATOM 0 HA ASP A 87 -11.108 -15.018 -10.163 1.00 32.24 H new ATOM 0 HB2 ASP A 87 -8.207 -15.157 -9.285 1.00 62.23 H new ATOM 0 HB3 ASP A 87 -8.872 -15.544 -10.860 1.00 62.23 H new ATOM 1327 N ILE A 88 -9.721 -16.548 -7.571 1.00 41.24 N ATOM 1328 CA ILE A 88 -9.764 -17.769 -6.773 1.00 12.41 C ATOM 1329 C ILE A 88 -11.207 -18.107 -6.399 1.00 62.53 C ATOM 1330 O ILE A 88 -11.610 -19.264 -6.452 1.00 0.14 O ATOM 1331 CB ILE A 88 -8.889 -17.667 -5.487 1.00 4.11 C ATOM 1332 CG1 ILE A 88 -7.390 -17.777 -5.832 1.00 4.15 C ATOM 1333 CG2 ILE A 88 -9.281 -18.742 -4.466 1.00 3.10 C ATOM 1334 CD1 ILE A 88 -6.838 -16.609 -6.621 1.00 42.04 C ATOM 0 H ILE A 88 -9.114 -15.819 -7.196 1.00 41.24 H new ATOM 0 HA ILE A 88 -9.349 -18.569 -7.387 1.00 12.41 H new ATOM 0 HB ILE A 88 -9.070 -16.689 -5.040 1.00 4.11 H new ATOM 0 HG12 ILE A 88 -6.823 -17.873 -4.906 1.00 4.15 H new ATOM 0 HG13 ILE A 88 -7.228 -18.692 -6.401 1.00 4.15 H new ATOM 0 HG21 ILE A 88 -8.654 -18.647 -3.579 1.00 3.10 H new ATOM 0 HG22 ILE A 88 -10.327 -18.614 -4.187 1.00 3.10 H new ATOM 0 HG23 ILE A 88 -9.141 -19.730 -4.905 1.00 3.10 H new ATOM 0 HD11 ILE A 88 -5.778 -16.772 -6.818 1.00 42.04 H new ATOM 0 HD12 ILE A 88 -7.374 -16.523 -7.566 1.00 42.04 H new ATOM 0 HD13 ILE A 88 -6.963 -15.691 -6.047 1.00 42.04 H new ATOM 1346 N SER A 89 -11.985 -17.086 -6.062 1.00 54.03 N ATOM 1347 CA SER A 89 -13.379 -17.271 -5.672 1.00 31.54 C ATOM 1348 C SER A 89 -14.176 -17.922 -6.803 1.00 63.41 C ATOM 1349 O SER A 89 -14.866 -18.919 -6.588 1.00 50.42 O ATOM 1350 CB SER A 89 -14.013 -15.928 -5.280 1.00 55.52 C ATOM 1351 OG SER A 89 -15.375 -16.083 -4.920 1.00 41.44 O ATOM 0 H SER A 89 -11.673 -16.115 -6.051 1.00 54.03 H new ATOM 0 HA SER A 89 -13.403 -17.933 -4.807 1.00 31.54 H new ATOM 0 HB2 SER A 89 -13.462 -15.494 -4.446 1.00 55.52 H new ATOM 0 HB3 SER A 89 -13.933 -15.229 -6.113 1.00 55.52 H new ATOM 0 HG SER A 89 -15.617 -15.403 -4.257 1.00 41.44 H new ATOM 1357 N ARG A 90 -14.071 -17.365 -8.014 1.00 23.34 N ATOM 1358 CA ARG A 90 -14.797 -17.918 -9.161 1.00 54.03 C ATOM 1359 C ARG A 90 -14.346 -19.353 -9.436 1.00 24.50 C ATOM 1360 O ARG A 90 -15.155 -20.287 -9.416 1.00 24.11 O ATOM 1361 CB ARG A 90 -14.584 -17.062 -10.429 1.00 2.20 C ATOM 1362 CG ARG A 90 -15.570 -15.903 -10.619 1.00 50.34 C ATOM 1363 CD ARG A 90 -15.276 -14.699 -9.725 1.00 62.12 C ATOM 1364 NE ARG A 90 -15.677 -14.906 -8.329 1.00 24.24 N ATOM 1365 CZ ARG A 90 -16.483 -14.079 -7.656 1.00 75.25 C ATOM 1366 NH1 ARG A 90 -17.063 -13.057 -8.279 1.00 2.51 N ATOM 1367 NH2 ARG A 90 -16.731 -14.290 -6.370 1.00 40.20 N ATOM 0 H ARG A 90 -13.501 -16.546 -8.223 1.00 23.34 H new ATOM 0 HA ARG A 90 -15.858 -17.910 -8.912 1.00 54.03 H new ATOM 0 HB2 ARG A 90 -13.573 -16.655 -10.405 1.00 2.20 H new ATOM 0 HB3 ARG A 90 -14.645 -17.714 -11.300 1.00 2.20 H new ATOM 0 HG2 ARG A 90 -15.548 -15.585 -11.661 1.00 50.34 H new ATOM 0 HG3 ARG A 90 -16.580 -16.259 -10.415 1.00 50.34 H new ATOM 0 HD2 ARG A 90 -14.209 -14.479 -9.761 1.00 62.12 H new ATOM 0 HD3 ARG A 90 -15.795 -13.826 -10.120 1.00 62.12 H new ATOM 0 HE ARG A 90 -15.320 -15.729 -7.844 1.00 24.24 H new ATOM 0 HH11 ARG A 90 -16.893 -12.903 -9.273 1.00 2.51 H new ATOM 0 HH12 ARG A 90 -17.678 -12.428 -7.763 1.00 2.51 H new ATOM 0 HH21 ARG A 90 -16.306 -15.085 -5.892 1.00 40.20 H new ATOM 0 HH22 ARG A 90 -17.346 -13.657 -5.859 1.00 40.20 H new ATOM 1381 N VAL A 91 -13.044 -19.522 -9.637 1.00 13.22 N ATOM 1382 CA VAL A 91 -12.475 -20.819 -9.992 1.00 73.33 C ATOM 1383 C VAL A 91 -12.837 -21.872 -8.945 1.00 11.43 C ATOM 1384 O VAL A 91 -13.395 -22.929 -9.274 1.00 41.13 O ATOM 1385 CB VAL A 91 -10.935 -20.724 -10.145 1.00 22.24 C ATOM 1386 CG1 VAL A 91 -10.325 -22.080 -10.489 1.00 73.11 C ATOM 1387 CG2 VAL A 91 -10.566 -19.686 -11.205 1.00 44.15 C ATOM 0 H VAL A 91 -12.357 -18.772 -9.560 1.00 13.22 H new ATOM 0 HA VAL A 91 -12.899 -21.120 -10.950 1.00 73.33 H new ATOM 0 HB VAL A 91 -10.523 -20.408 -9.187 1.00 22.24 H new ATOM 0 HG11 VAL A 91 -9.244 -21.978 -10.589 1.00 73.11 H new ATOM 0 HG12 VAL A 91 -10.550 -22.792 -9.695 1.00 73.11 H new ATOM 0 HG13 VAL A 91 -10.744 -22.440 -11.429 1.00 73.11 H new ATOM 0 HG21 VAL A 91 -9.481 -19.632 -11.300 1.00 44.15 H new ATOM 0 HG22 VAL A 91 -11.000 -19.974 -12.163 1.00 44.15 H new ATOM 0 HG23 VAL A 91 -10.953 -18.711 -10.910 1.00 44.15 H new ATOM 1397 N ALA A 92 -12.544 -21.559 -7.683 1.00 14.51 N ATOM 1398 CA ALA A 92 -12.841 -22.457 -6.575 1.00 51.41 C ATOM 1399 C ALA A 92 -14.329 -22.766 -6.518 1.00 45.24 C ATOM 1400 O ALA A 92 -14.725 -23.896 -6.238 1.00 41.04 O ATOM 1401 CB ALA A 92 -12.364 -21.865 -5.254 1.00 45.23 C ATOM 0 H ALA A 92 -12.099 -20.684 -7.405 1.00 14.51 H new ATOM 0 HA ALA A 92 -12.304 -23.390 -6.742 1.00 51.41 H new ATOM 0 HB1 ALA A 92 -12.597 -22.553 -4.442 1.00 45.23 H new ATOM 0 HB2 ALA A 92 -11.287 -21.704 -5.295 1.00 45.23 H new ATOM 0 HB3 ALA A 92 -12.867 -20.914 -5.079 1.00 45.23 H new ATOM 1407 N SER A 93 -15.146 -21.760 -6.803 1.00 15.05 N ATOM 1408 CA SER A 93 -16.594 -21.929 -6.827 1.00 62.23 C ATOM 1409 C SER A 93 -16.996 -22.929 -7.911 1.00 73.41 C ATOM 1410 O SER A 93 -17.923 -23.720 -7.719 1.00 13.21 O ATOM 1411 CB SER A 93 -17.287 -20.578 -7.059 1.00 70.15 C ATOM 1412 OG SER A 93 -18.703 -20.700 -7.055 1.00 11.51 O ATOM 0 H SER A 93 -14.830 -20.815 -7.022 1.00 15.05 H new ATOM 0 HA SER A 93 -16.913 -22.320 -5.861 1.00 62.23 H new ATOM 0 HB2 SER A 93 -16.981 -19.875 -6.284 1.00 70.15 H new ATOM 0 HB3 SER A 93 -16.961 -20.162 -8.012 1.00 70.15 H new ATOM 0 HG SER A 93 -19.108 -19.820 -7.204 1.00 11.51 H new ATOM 1418 N ARG A 94 -16.294 -22.900 -9.047 1.00 41.15 N ATOM 1419 CA ARG A 94 -16.611 -23.808 -10.153 1.00 3.43 C ATOM 1420 C ARG A 94 -16.228 -25.239 -9.806 1.00 32.51 C ATOM 1421 O ARG A 94 -17.060 -26.139 -9.878 1.00 40.31 O ATOM 1422 CB ARG A 94 -15.861 -23.401 -11.421 1.00 52.53 C ATOM 1423 CG ARG A 94 -15.950 -21.926 -11.746 1.00 61.23 C ATOM 1424 CD ARG A 94 -17.400 -21.437 -11.774 1.00 13.22 C ATOM 1425 NE ARG A 94 -17.530 -20.075 -12.308 1.00 3.54 N ATOM 1426 CZ ARG A 94 -18.567 -19.268 -12.052 1.00 23.02 C ATOM 1427 NH1 ARG A 94 -19.529 -19.658 -11.224 1.00 3.12 N ATOM 1428 NH2 ARG A 94 -18.638 -18.071 -12.618 1.00 21.02 N ATOM 0 H ARG A 94 -15.514 -22.268 -9.224 1.00 41.15 H new ATOM 0 HA ARG A 94 -17.686 -23.747 -10.325 1.00 3.43 H new ATOM 0 HB2 ARG A 94 -14.812 -23.675 -11.313 1.00 52.53 H new ATOM 0 HB3 ARG A 94 -16.255 -23.972 -12.262 1.00 52.53 H new ATOM 0 HG2 ARG A 94 -15.388 -21.356 -11.006 1.00 61.23 H new ATOM 0 HG3 ARG A 94 -15.484 -21.738 -12.713 1.00 61.23 H new ATOM 0 HD2 ARG A 94 -17.997 -22.119 -12.380 1.00 13.22 H new ATOM 0 HD3 ARG A 94 -17.809 -21.467 -10.764 1.00 13.22 H new ATOM 0 HE ARG A 94 -16.786 -19.723 -12.910 1.00 3.54 H new ATOM 0 HH11 ARG A 94 -19.479 -20.575 -10.781 1.00 3.12 H new ATOM 0 HH12 ARG A 94 -20.318 -19.040 -11.031 1.00 3.12 H new ATOM 0 HH21 ARG A 94 -17.901 -17.762 -13.251 1.00 21.02 H new ATOM 0 HH22 ARG A 94 -19.430 -17.459 -12.420 1.00 21.02 H new ATOM 1442 N LEU A 95 -14.966 -25.448 -9.428 1.00 55.01 N ATOM 1443 CA LEU A 95 -14.527 -26.783 -8.970 1.00 15.52 C ATOM 1444 C LEU A 95 -15.335 -27.266 -7.756 1.00 70.41 C ATOM 1445 O LEU A 95 -15.512 -28.471 -7.567 1.00 61.13 O ATOM 1446 CB LEU A 95 -13.011 -26.847 -8.687 1.00 62.31 C ATOM 1447 CG LEU A 95 -12.424 -25.723 -7.812 1.00 10.41 C ATOM 1448 CD1 LEU A 95 -11.943 -26.260 -6.464 1.00 12.14 C ATOM 1449 CD2 LEU A 95 -11.286 -25.012 -8.543 1.00 73.21 C ATOM 0 H LEU A 95 -14.238 -24.733 -9.426 1.00 55.01 H new ATOM 0 HA LEU A 95 -14.725 -27.465 -9.797 1.00 15.52 H new ATOM 0 HB2 LEU A 95 -12.794 -27.801 -8.206 1.00 62.31 H new ATOM 0 HB3 LEU A 95 -12.486 -26.845 -9.642 1.00 62.31 H new ATOM 0 HG LEU A 95 -13.219 -25.002 -7.619 1.00 10.41 H new ATOM 0 HD11 LEU A 95 -11.535 -25.442 -5.871 1.00 12.14 H new ATOM 0 HD12 LEU A 95 -12.781 -26.711 -5.932 1.00 12.14 H new ATOM 0 HD13 LEU A 95 -11.170 -27.011 -6.626 1.00 12.14 H new ATOM 0 HD21 LEU A 95 -10.884 -24.221 -7.909 1.00 73.21 H new ATOM 0 HD22 LEU A 95 -10.498 -25.729 -8.773 1.00 73.21 H new ATOM 0 HD23 LEU A 95 -11.663 -24.578 -9.469 1.00 73.21 H new ATOM 1461 N ALA A 96 -15.825 -26.335 -6.938 1.00 40.45 N ATOM 1462 CA ALA A 96 -16.722 -26.687 -5.832 1.00 52.43 C ATOM 1463 C ALA A 96 -18.077 -27.130 -6.382 1.00 51.03 C ATOM 1464 O ALA A 96 -18.704 -28.062 -5.870 1.00 52.32 O ATOM 1465 CB ALA A 96 -16.890 -25.508 -4.880 1.00 5.15 C ATOM 0 H ALA A 96 -15.620 -25.339 -7.017 1.00 40.45 H new ATOM 0 HA ALA A 96 -16.282 -27.513 -5.273 1.00 52.43 H new ATOM 0 HB1 ALA A 96 -17.559 -25.790 -4.067 1.00 5.15 H new ATOM 0 HB2 ALA A 96 -15.919 -25.229 -4.471 1.00 5.15 H new ATOM 0 HB3 ALA A 96 -17.313 -24.661 -5.421 1.00 5.15 H new ATOM 1471 N ALA A 97 -18.517 -26.447 -7.433 1.00 43.02 N ATOM 1472 CA ALA A 97 -19.740 -26.802 -8.144 1.00 4.04 C ATOM 1473 C ALA A 97 -19.520 -28.067 -8.969 1.00 60.22 C ATOM 1474 O ALA A 97 -20.474 -28.721 -9.389 1.00 2.12 O ATOM 1475 CB ALA A 97 -20.200 -25.652 -9.033 1.00 52.53 C ATOM 0 H ALA A 97 -18.037 -25.633 -7.816 1.00 43.02 H new ATOM 0 HA ALA A 97 -20.524 -26.996 -7.412 1.00 4.04 H new ATOM 0 HB1 ALA A 97 -21.114 -25.938 -9.554 1.00 52.53 H new ATOM 0 HB2 ALA A 97 -20.393 -24.772 -8.419 1.00 52.53 H new ATOM 0 HB3 ALA A 97 -19.423 -25.423 -9.762 1.00 52.53 H new ATOM 1481 N GLY A 98 -18.245 -28.407 -9.181 1.00 10.24 N ATOM 1482 CA GLY A 98 -17.873 -29.575 -9.970 1.00 71.13 C ATOM 1483 C GLY A 98 -18.186 -30.899 -9.293 1.00 75.14 C ATOM 1484 O GLY A 98 -17.492 -31.894 -9.515 1.00 24.30 O ATOM 0 H GLY A 98 -17.451 -27.883 -8.812 1.00 10.24 H new ATOM 0 HA2 GLY A 98 -18.393 -29.536 -10.927 1.00 71.13 H new ATOM 0 HA3 GLY A 98 -16.805 -29.531 -10.185 1.00 71.13 H new ATOM 1488 N GLY A 99 -19.213 -30.920 -8.450 1.00 44.44 N ATOM 1489 CA GLY A 99 -19.711 -32.169 -7.923 1.00 11.31 C ATOM 1490 C GLY A 99 -20.416 -32.950 -9.010 1.00 2.41 C ATOM 1491 O GLY A 99 -21.634 -32.866 -9.145 1.00 24.34 O ATOM 0 H GLY A 99 -19.708 -30.090 -8.124 1.00 44.44 H new ATOM 0 HA2 GLY A 99 -18.886 -32.756 -7.519 1.00 11.31 H new ATOM 0 HA3 GLY A 99 -20.398 -31.976 -7.099 1.00 11.31 H new ATOM 1495 N TRP A 100 -19.620 -33.671 -9.799 1.00 33.12 N ATOM 1496 CA TRP A 100 -20.085 -34.443 -10.957 1.00 54.53 C ATOM 1497 C TRP A 100 -21.311 -35.347 -10.635 1.00 63.43 C ATOM 1498 O TRP A 100 -21.818 -35.320 -9.509 1.00 14.14 O ATOM 1499 CB TRP A 100 -18.887 -35.186 -11.567 1.00 53.11 C ATOM 1500 CG TRP A 100 -17.960 -34.256 -12.301 1.00 53.11 C ATOM 1501 CD1 TRP A 100 -16.817 -33.678 -11.827 1.00 62.25 C ATOM 1502 CD2 TRP A 100 -18.127 -33.775 -13.639 1.00 74.21 C ATOM 1503 NE1 TRP A 100 -16.255 -32.882 -12.794 1.00 50.24 N ATOM 1504 CE2 TRP A 100 -17.042 -32.923 -13.916 1.00 71.24 C ATOM 1505 CE3 TRP A 100 -19.089 -33.986 -14.633 1.00 61.55 C ATOM 1506 CZ2 TRP A 100 -16.890 -32.286 -15.144 1.00 14.04 C ATOM 1507 CZ3 TRP A 100 -18.938 -33.351 -15.850 1.00 44.10 C ATOM 1508 CH2 TRP A 100 -17.847 -32.509 -16.097 1.00 25.43 C ATOM 0 H TRP A 100 -18.613 -33.738 -9.650 1.00 33.12 H new ATOM 0 HA TRP A 100 -20.476 -33.763 -11.714 1.00 54.53 H new ATOM 0 HB2 TRP A 100 -18.337 -35.697 -10.777 1.00 53.11 H new ATOM 0 HB3 TRP A 100 -19.247 -35.954 -12.252 1.00 53.11 H new ATOM 0 HD1 TRP A 100 -16.414 -33.826 -10.836 1.00 62.25 H new ATOM 0 HE1 TRP A 100 -15.392 -32.347 -12.694 1.00 50.24 H new ATOM 0 HE3 TRP A 100 -19.934 -34.634 -14.452 1.00 61.55 H new ATOM 0 HZ2 TRP A 100 -16.047 -31.639 -15.338 1.00 14.04 H new ATOM 0 HZ3 TRP A 100 -19.674 -33.507 -16.625 1.00 44.10 H new ATOM 0 HH2 TRP A 100 -17.759 -32.026 -17.059 1.00 25.43 H new ATOM 1519 N PRO A 101 -21.759 -36.237 -11.571 1.00 54.45 N ATOM 1520 CA PRO A 101 -23.166 -36.524 -11.814 1.00 61.44 C ATOM 1521 C PRO A 101 -24.150 -35.554 -11.146 1.00 74.42 C ATOM 1522 O PRO A 101 -24.969 -35.929 -10.304 1.00 34.13 O ATOM 1523 CB PRO A 101 -23.208 -37.962 -11.312 1.00 45.13 C ATOM 1524 CG PRO A 101 -21.888 -38.528 -11.816 1.00 52.13 C ATOM 1525 CD PRO A 101 -21.013 -37.325 -12.199 1.00 25.12 C ATOM 0 HA PRO A 101 -23.495 -36.397 -12.845 1.00 61.44 H new ATOM 0 HB2 PRO A 101 -23.281 -38.010 -10.226 1.00 45.13 H new ATOM 0 HB3 PRO A 101 -24.062 -38.507 -11.714 1.00 45.13 H new ATOM 0 HG2 PRO A 101 -21.405 -39.129 -11.046 1.00 52.13 H new ATOM 0 HG3 PRO A 101 -22.048 -39.180 -12.675 1.00 52.13 H new ATOM 0 HD2 PRO A 101 -19.999 -37.410 -11.809 1.00 25.12 H new ATOM 0 HD3 PRO A 101 -20.930 -37.201 -13.279 1.00 25.12 H new ATOM 1533 N LEU A 102 -24.035 -34.291 -11.565 1.00 10.31 N ATOM 1534 CA LEU A 102 -24.992 -33.236 -11.241 1.00 74.21 C ATOM 1535 C LEU A 102 -25.248 -32.406 -12.502 1.00 33.31 C ATOM 1536 O LEU A 102 -24.542 -31.430 -12.767 1.00 3.42 O ATOM 1537 CB LEU A 102 -24.461 -32.332 -10.114 1.00 54.21 C ATOM 1538 CG LEU A 102 -25.380 -31.162 -9.712 1.00 73.13 C ATOM 1539 CD1 LEU A 102 -26.676 -31.675 -9.094 1.00 1.32 C ATOM 1540 CD2 LEU A 102 -24.665 -30.212 -8.752 1.00 12.44 C ATOM 0 H LEU A 102 -23.262 -33.970 -12.148 1.00 10.31 H new ATOM 0 HA LEU A 102 -25.920 -33.690 -10.892 1.00 74.21 H new ATOM 0 HB2 LEU A 102 -24.280 -32.948 -9.233 1.00 54.21 H new ATOM 0 HB3 LEU A 102 -23.498 -31.925 -10.422 1.00 54.21 H new ATOM 0 HG LEU A 102 -25.631 -30.607 -10.616 1.00 73.13 H new ATOM 0 HD11 LEU A 102 -27.307 -30.830 -8.819 1.00 1.32 H new ATOM 0 HD12 LEU A 102 -27.201 -32.300 -9.816 1.00 1.32 H new ATOM 0 HD13 LEU A 102 -26.448 -32.262 -8.204 1.00 1.32 H new ATOM 0 HD21 LEU A 102 -25.334 -29.395 -8.483 1.00 12.44 H new ATOM 0 HD22 LEU A 102 -24.375 -30.754 -7.852 1.00 12.44 H new ATOM 0 HD23 LEU A 102 -23.775 -29.808 -9.235 1.00 12.44 H new ATOM 1552 N ALA A 103 -26.225 -32.816 -13.301 1.00 35.13 N ATOM 1553 CA ALA A 103 -26.509 -32.144 -14.565 1.00 1.22 C ATOM 1554 C ALA A 103 -27.684 -31.185 -14.415 1.00 44.52 C ATOM 1555 O ALA A 103 -28.834 -31.547 -14.675 1.00 71.31 O ATOM 1556 CB ALA A 103 -26.774 -33.163 -15.670 1.00 34.24 C ATOM 0 H ALA A 103 -26.834 -33.609 -13.098 1.00 35.13 H new ATOM 0 HA ALA A 103 -25.632 -31.561 -14.846 1.00 1.22 H new ATOM 0 HB1 ALA A 103 -26.984 -32.641 -16.604 1.00 34.24 H new ATOM 0 HB2 ALA A 103 -25.897 -33.797 -15.798 1.00 34.24 H new ATOM 0 HB3 ALA A 103 -27.631 -33.779 -15.399 1.00 34.24 H new ATOM 1562 N GLY A 104 -27.392 -29.974 -13.960 1.00 1.03 N ATOM 1563 CA GLY A 104 -28.423 -28.969 -13.778 1.00 34.40 C ATOM 1564 C GLY A 104 -27.891 -27.570 -13.967 1.00 2.44 C ATOM 1565 O GLY A 104 -28.016 -26.721 -13.078 1.00 60.53 O ATOM 0 H GLY A 104 -26.452 -29.667 -13.712 1.00 1.03 H new ATOM 0 HA2 GLY A 104 -29.232 -29.148 -14.486 1.00 34.40 H new ATOM 0 HA3 GLY A 104 -28.848 -29.063 -12.779 1.00 34.40 H new ATOM 1569 N VAL A 105 -27.284 -27.339 -15.124 1.00 75.25 N ATOM 1570 CA VAL A 105 -26.735 -26.038 -15.461 1.00 23.35 C ATOM 1571 C VAL A 105 -26.302 -26.013 -16.929 1.00 14.03 C ATOM 1572 O VAL A 105 -25.646 -26.940 -17.410 1.00 43.04 O ATOM 1573 CB VAL A 105 -25.540 -25.670 -14.540 1.00 43.11 C ATOM 1574 CG1 VAL A 105 -24.348 -26.601 -14.760 1.00 54.52 C ATOM 1575 CG2 VAL A 105 -25.150 -24.208 -14.727 1.00 71.45 C ATOM 0 H VAL A 105 -27.160 -28.045 -15.849 1.00 75.25 H new ATOM 0 HA VAL A 105 -27.516 -25.293 -15.306 1.00 23.35 H new ATOM 0 HB VAL A 105 -25.860 -25.806 -13.507 1.00 43.11 H new ATOM 0 HG11 VAL A 105 -23.533 -26.311 -14.097 1.00 54.52 H new ATOM 0 HG12 VAL A 105 -24.643 -27.628 -14.544 1.00 54.52 H new ATOM 0 HG13 VAL A 105 -24.017 -26.529 -15.796 1.00 54.52 H new ATOM 0 HG21 VAL A 105 -24.311 -23.969 -14.073 1.00 71.45 H new ATOM 0 HG22 VAL A 105 -24.862 -24.038 -15.764 1.00 71.45 H new ATOM 0 HG23 VAL A 105 -25.998 -23.570 -14.477 1.00 71.45 H new ATOM 1585 N ASP A 106 -26.697 -24.964 -17.642 1.00 34.34 N ATOM 1586 CA ASP A 106 -26.369 -24.824 -19.061 1.00 34.40 C ATOM 1587 C ASP A 106 -24.973 -24.235 -19.221 1.00 44.13 C ATOM 1588 O ASP A 106 -24.565 -23.384 -18.432 1.00 12.44 O ATOM 1589 CB ASP A 106 -27.384 -23.911 -19.765 1.00 3.44 C ATOM 1590 CG ASP A 106 -28.801 -24.459 -19.724 1.00 44.43 C ATOM 1591 OD1 ASP A 106 -29.495 -24.257 -18.703 1.00 61.24 O ATOM 1592 OD2 ASP A 106 -29.236 -25.090 -20.709 1.00 25.55 O ATOM 0 H ASP A 106 -27.247 -24.194 -17.261 1.00 34.34 H new ATOM 0 HA ASP A 106 -26.404 -25.814 -19.516 1.00 34.40 H new ATOM 0 HB2 ASP A 106 -27.367 -22.927 -19.296 1.00 3.44 H new ATOM 0 HB3 ASP A 106 -27.083 -23.774 -20.804 1.00 3.44 H new ATOM 1597 N SER A 107 -24.254 -24.674 -20.251 1.00 25.45 N ATOM 1598 CA SER A 107 -22.919 -24.155 -20.536 1.00 20.22 C ATOM 1599 C SER A 107 -22.978 -22.643 -20.762 1.00 62.13 C ATOM 1600 O SER A 107 -22.015 -21.919 -20.501 1.00 71.25 O ATOM 1601 CB SER A 107 -22.344 -24.860 -21.770 1.00 31.03 C ATOM 1602 OG SER A 107 -22.389 -26.271 -21.615 1.00 63.21 O ATOM 0 H SER A 107 -24.574 -25.390 -20.903 1.00 25.45 H new ATOM 0 HA SER A 107 -22.269 -24.350 -19.683 1.00 20.22 H new ATOM 0 HB2 SER A 107 -22.909 -24.569 -22.656 1.00 31.03 H new ATOM 0 HB3 SER A 107 -21.314 -24.540 -21.929 1.00 31.03 H new ATOM 0 HG SER A 107 -22.019 -26.700 -22.415 1.00 63.21 H new ATOM 1608 N THR A 108 -24.126 -22.175 -21.241 1.00 52.43 N ATOM 1609 CA THR A 108 -24.355 -20.756 -21.474 1.00 65.30 C ATOM 1610 C THR A 108 -24.352 -19.983 -20.149 1.00 75.14 C ATOM 1611 O THR A 108 -23.971 -18.814 -20.098 1.00 15.14 O ATOM 1612 CB THR A 108 -25.701 -20.537 -22.207 1.00 33.03 C ATOM 1613 OG1 THR A 108 -25.794 -21.433 -23.328 1.00 25.35 O ATOM 1614 CG2 THR A 108 -25.839 -19.099 -22.697 1.00 32.14 C ATOM 0 H THR A 108 -24.921 -22.768 -21.478 1.00 52.43 H new ATOM 0 HA THR A 108 -23.546 -20.381 -22.101 1.00 65.30 H new ATOM 0 HB THR A 108 -26.506 -20.738 -21.500 1.00 33.03 H new ATOM 0 HG1 THR A 108 -26.648 -21.293 -23.789 1.00 25.35 H new ATOM 0 HG21 THR A 108 -26.795 -18.979 -23.207 1.00 32.14 H new ATOM 0 HG22 THR A 108 -25.793 -18.419 -21.846 1.00 32.14 H new ATOM 0 HG23 THR A 108 -25.028 -18.871 -23.388 1.00 32.14 H new ATOM 1622 N ALA A 109 -24.748 -20.660 -19.070 1.00 54.00 N ATOM 1623 CA ALA A 109 -24.802 -20.046 -17.744 1.00 24.21 C ATOM 1624 C ALA A 109 -23.414 -19.961 -17.128 1.00 11.04 C ATOM 1625 O ALA A 109 -23.227 -19.389 -16.053 1.00 23.33 O ATOM 1626 CB ALA A 109 -25.751 -20.820 -16.837 1.00 14.02 C ATOM 0 H ALA A 109 -25.037 -21.638 -19.090 1.00 54.00 H new ATOM 0 HA ALA A 109 -25.183 -19.030 -17.853 1.00 24.21 H new ATOM 0 HB1 ALA A 109 -25.779 -20.350 -15.854 1.00 14.02 H new ATOM 0 HB2 ALA A 109 -26.751 -20.817 -17.270 1.00 14.02 H new ATOM 0 HB3 ALA A 109 -25.402 -21.848 -16.737 1.00 14.02 H new ATOM 1632 N LEU A 110 -22.450 -20.537 -17.825 1.00 1.22 N ATOM 1633 CA LEU A 110 -21.052 -20.470 -17.433 1.00 62.21 C ATOM 1634 C LEU A 110 -20.357 -19.324 -18.162 1.00 32.34 C ATOM 1635 O LEU A 110 -19.134 -19.194 -18.115 1.00 74.23 O ATOM 1636 CB LEU A 110 -20.362 -21.802 -17.747 1.00 35.40 C ATOM 1637 CG LEU A 110 -20.555 -22.926 -16.709 1.00 12.11 C ATOM 1638 CD1 LEU A 110 -22.024 -23.312 -16.571 1.00 12.33 C ATOM 1639 CD2 LEU A 110 -19.708 -24.145 -17.070 1.00 71.20 C ATOM 0 H LEU A 110 -22.615 -21.066 -18.681 1.00 1.22 H new ATOM 0 HA LEU A 110 -20.989 -20.285 -16.361 1.00 62.21 H new ATOM 0 HB2 LEU A 110 -20.726 -22.158 -18.711 1.00 35.40 H new ATOM 0 HB3 LEU A 110 -19.294 -21.617 -17.858 1.00 35.40 H new ATOM 0 HG LEU A 110 -20.221 -22.546 -15.744 1.00 12.11 H new ATOM 0 HD11 LEU A 110 -22.123 -24.107 -15.832 1.00 12.33 H new ATOM 0 HD12 LEU A 110 -22.600 -22.444 -16.250 1.00 12.33 H new ATOM 0 HD13 LEU A 110 -22.400 -23.662 -17.532 1.00 12.33 H new ATOM 0 HD21 LEU A 110 -19.859 -24.926 -16.325 1.00 71.20 H new ATOM 0 HD22 LEU A 110 -20.005 -24.517 -18.051 1.00 71.20 H new ATOM 0 HD23 LEU A 110 -18.655 -23.863 -17.092 1.00 71.20 H new ATOM 1651 N ASN A 111 -21.156 -18.501 -18.836 1.00 2.03 N ATOM 1652 CA ASN A 111 -20.656 -17.343 -19.573 1.00 51.20 C ATOM 1653 C ASN A 111 -21.326 -16.070 -19.061 1.00 3.43 C ATOM 1654 O ASN A 111 -22.478 -15.785 -19.401 1.00 20.31 O ATOM 1655 CB ASN A 111 -20.925 -17.516 -21.076 1.00 51.14 C ATOM 1656 CG ASN A 111 -20.519 -16.299 -21.895 1.00 45.04 C ATOM 1657 OD1 ASN A 111 -19.394 -16.208 -22.381 1.00 64.14 O ATOM 1658 ND2 ASN A 111 -21.434 -15.353 -22.046 1.00 71.21 N ATOM 0 H ASN A 111 -22.168 -18.618 -18.887 1.00 2.03 H new ATOM 0 HA ASN A 111 -19.580 -17.262 -19.417 1.00 51.20 H new ATOM 0 HB2 ASN A 111 -20.383 -18.389 -21.439 1.00 51.14 H new ATOM 0 HB3 ASN A 111 -21.986 -17.713 -21.230 1.00 51.14 H new ATOM 0 HD21 ASN A 111 -21.215 -14.513 -22.581 1.00 71.21 H new ATOM 0 HD22 ASN A 111 -22.357 -15.465 -21.627 1.00 71.21 H new ATOM 1665 N ALA A 112 -20.607 -15.319 -18.233 1.00 65.35 N ATOM 1666 CA ALA A 112 -21.136 -14.096 -17.631 1.00 3.51 C ATOM 1667 C ALA A 112 -20.000 -13.211 -17.108 1.00 55.23 C ATOM 1668 O ALA A 112 -19.633 -13.332 -15.916 1.00 20.44 O ATOM 1669 CB ALA A 112 -22.122 -14.438 -16.512 1.00 24.13 C ATOM 1670 OXT ALA A 112 -19.470 -12.401 -17.896 1.00 0.00 O ATOM 0 H ALA A 112 -19.648 -15.537 -17.961 1.00 65.35 H new ATOM 0 HA ALA A 112 -21.669 -13.536 -18.399 1.00 3.51 H new ATOM 0 HB1 ALA A 112 -22.508 -13.518 -16.073 1.00 24.13 H new ATOM 0 HB2 ALA A 112 -22.949 -15.019 -16.920 1.00 24.13 H new ATOM 0 HB3 ALA A 112 -21.613 -15.021 -15.744 1.00 24.13 H new TER 1676 ALA A 112