USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 639 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 95 ASN : amide:sc= 1.29 K(o=2.2,f=-2.3) USER MOD Set 1.2: A 96 THR OG1 : rot -74:sc= 0.873 USER MOD Set 2.1: A 81 MET CE :methyl 159:sc= -0.222 (180deg=-0.884) USER MOD Set 2.2: A 83 TYR OH : rot 109:sc= 0.566 USER MOD Set 3.1: A 52 THR OG1 : rot -68:sc= 1.99 USER MOD Set 3.2: A 54 THR OG1 : rot 104:sc= 0.596 USER MOD Single : A 3 HIS : no HE2:sc= 0.449 K(o=0.45,f=-5.2!) USER MOD Single : A 4 MET CE :methyl 172:sc= -1.21 (180deg=-1.4) USER MOD Single : A 5 GLN : amide:sc= -1.46! C(o=-1.5!,f=-3.4!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.0375 K(o=-0.038,f=-1.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00928 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0149 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 170:sc= -1.19 USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= -0.0147 (180deg=-0.199) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.506 F(o=-1.7,f=-0.51) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 16:sc= 0.681 USER MOD Single : A 53 LYS NZ :NH3+ -112:sc= 1.66 (180deg=0.741) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.93 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -155:sc= 1.27 (180deg=0.191) USER MOD Single : A 84 THR OG1 : rot 162:sc= -1.44 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0586 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc=-0.00158 USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 3 -37.561 5.569 -0.589 1.00 0.62 N ATOM 22 CA HIS A 3 -36.234 4.972 -0.453 1.00 0.44 C ATOM 23 C HIS A 3 -35.414 5.151 -1.739 1.00 0.40 C ATOM 24 O HIS A 3 -35.965 5.126 -2.839 1.00 0.53 O ATOM 25 CB HIS A 3 -36.333 3.476 -0.068 1.00 0.55 C ATOM 26 CG HIS A 3 -37.158 2.614 -0.993 1.00 1.04 C ATOM 27 ND1 HIS A 3 -37.454 1.296 -0.711 1.00 1.55 N ATOM 28 CD2 HIS A 3 -37.757 2.879 -2.182 1.00 1.91 C ATOM 29 CE1 HIS A 3 -38.187 0.789 -1.685 1.00 2.22 C ATOM 30 NE2 HIS A 3 -38.387 1.728 -2.585 1.00 2.50 N ATOM 0 HA HIS A 3 -35.717 5.493 0.352 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -35.325 3.065 -0.021 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -36.753 3.405 0.935 1.00 0.55 H new ATOM 0 HD1 HIS A 3 -37.153 0.791 0.122 1.00 1.55 H new ATOM 0 HD2 HIS A 3 -37.741 3.820 -2.712 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -38.559 -0.224 -1.735 1.00 2.22 H new ATOM 39 N MET A 4 -34.106 5.350 -1.604 1.00 0.38 N ATOM 40 CA MET A 4 -33.241 5.543 -2.758 1.00 0.41 C ATOM 41 C MET A 4 -32.258 4.383 -2.859 1.00 0.37 C ATOM 42 O MET A 4 -31.782 3.873 -1.838 1.00 0.43 O ATOM 43 CB MET A 4 -32.492 6.883 -2.665 1.00 0.54 C ATOM 44 CG MET A 4 -33.413 8.085 -2.496 1.00 1.29 C ATOM 45 SD MET A 4 -32.518 9.652 -2.432 1.00 1.92 S ATOM 46 CE MET A 4 -31.763 9.681 -4.055 1.00 2.06 C ATOM 0 H MET A 4 -33.624 5.381 -0.706 1.00 0.38 H new ATOM 0 HA MET A 4 -33.856 5.569 -3.658 1.00 0.41 H new ATOM 0 HB2 MET A 4 -31.799 6.845 -1.824 1.00 0.54 H new ATOM 0 HB3 MET A 4 -31.893 7.018 -3.566 1.00 0.54 H new ATOM 0 HG2 MET A 4 -34.123 8.111 -3.323 1.00 1.29 H new ATOM 0 HG3 MET A 4 -33.993 7.966 -1.581 1.00 1.29 H new ATOM 0 HE1 MET A 4 -31.294 10.651 -4.221 1.00 2.06 H new ATOM 0 HE2 MET A 4 -31.008 8.897 -4.119 1.00 2.06 H new ATOM 0 HE3 MET A 4 -32.526 9.513 -4.815 1.00 2.06 H new ATOM 56 N GLN A 5 -32.042 3.898 -4.074 1.00 0.34 N ATOM 57 CA GLN A 5 -31.137 2.781 -4.300 1.00 0.33 C ATOM 58 C GLN A 5 -29.675 3.209 -4.191 1.00 0.29 C ATOM 59 O GLN A 5 -29.196 4.017 -4.984 1.00 0.49 O ATOM 60 CB GLN A 5 -31.398 2.170 -5.681 1.00 0.44 C ATOM 61 CG GLN A 5 -30.433 1.058 -6.072 1.00 0.53 C ATOM 62 CD GLN A 5 -30.566 0.676 -7.534 1.00 1.07 C ATOM 63 OE1 GLN A 5 -29.898 1.250 -8.394 1.00 1.90 O ATOM 64 NE2 GLN A 5 -31.428 -0.286 -7.830 1.00 1.53 N ATOM 0 H GLN A 5 -32.482 4.262 -4.919 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.326 2.037 -3.527 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.414 1.777 -5.704 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.345 2.960 -6.430 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.411 1.379 -5.873 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -30.619 0.182 -5.450 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -31.963 -0.737 -7.088 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -31.556 -0.575 -8.800 1.00 1.53 H new ATOM 73 N TYR A 6 -28.980 2.673 -3.200 1.00 0.20 N ATOM 74 CA TYR A 6 -27.554 2.939 -3.036 1.00 0.21 C ATOM 75 C TYR A 6 -26.784 1.656 -3.328 1.00 0.23 C ATOM 76 O TYR A 6 -27.261 0.559 -3.023 1.00 0.30 O ATOM 77 CB TYR A 6 -27.219 3.448 -1.610 1.00 0.28 C ATOM 78 CG TYR A 6 -27.593 4.895 -1.362 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.708 5.928 -1.648 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.845 5.226 -0.859 1.00 0.78 C ATOM 81 CE1 TYR A 6 -27.063 7.248 -1.436 1.00 0.82 C ATOM 82 CE2 TYR A 6 -29.202 6.541 -0.641 1.00 0.83 C ATOM 83 CZ TYR A 6 -28.250 7.555 -0.884 1.00 0.43 C ATOM 84 OH TYR A 6 -28.666 8.860 -0.725 1.00 0.53 O ATOM 0 H TYR A 6 -29.377 2.051 -2.496 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.265 3.726 -3.733 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.735 2.821 -0.882 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -26.150 3.326 -1.435 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.729 5.697 -2.041 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -29.551 4.440 -0.635 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -26.382 8.038 -1.716 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -30.193 6.790 -0.291 1.00 0.83 H new ATOM 0 HH TYR A 6 -29.553 8.872 -0.308 1.00 0.53 H new ATOM 94 N LYS A 7 -25.623 1.776 -3.949 1.00 0.26 N ATOM 95 CA LYS A 7 -24.859 0.593 -4.317 1.00 0.30 C ATOM 96 C LYS A 7 -23.531 0.539 -3.598 1.00 0.23 C ATOM 97 O LYS A 7 -23.044 1.544 -3.086 1.00 0.31 O ATOM 98 CB LYS A 7 -24.606 0.558 -5.832 1.00 0.50 C ATOM 99 CG LYS A 7 -25.743 1.137 -6.641 1.00 0.98 C ATOM 100 CD LYS A 7 -25.734 0.644 -8.075 1.00 1.30 C ATOM 101 CE LYS A 7 -26.832 1.320 -8.886 1.00 1.94 C ATOM 102 NZ LYS A 7 -27.108 0.623 -10.170 1.00 2.57 N ATOM 0 H LYS A 7 -25.193 2.664 -4.206 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.454 -0.272 -4.022 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -23.693 1.111 -6.054 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -24.437 -0.473 -6.142 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -26.691 0.872 -6.173 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -25.676 2.225 -6.632 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -24.764 0.847 -8.528 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -25.875 -0.437 -8.094 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -27.746 1.356 -8.293 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -26.544 2.351 -9.091 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -27.862 1.124 -10.682 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -26.245 0.610 -10.751 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -27.410 -0.353 -9.977 1.00 2.57 H new ATOM 116 N LEU A 8 -22.942 -0.641 -3.595 1.00 0.22 N ATOM 117 CA LEU A 8 -21.647 -0.841 -2.960 1.00 0.20 C ATOM 118 C LEU A 8 -20.816 -1.871 -3.714 1.00 0.17 C ATOM 119 O LEU A 8 -21.281 -2.986 -3.964 1.00 0.25 O ATOM 120 CB LEU A 8 -21.803 -1.317 -1.515 1.00 0.28 C ATOM 121 CG LEU A 8 -20.515 -1.357 -0.700 1.00 0.28 C ATOM 122 CD1 LEU A 8 -20.016 0.047 -0.359 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.746 -2.160 0.553 1.00 0.33 C ATOM 0 H LEU A 8 -23.337 -1.478 -4.024 1.00 0.22 H new ATOM 0 HA LEU A 8 -21.141 0.124 -2.976 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.514 -0.663 -1.009 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -22.239 -2.316 -1.524 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.740 -1.832 -1.301 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -19.097 -0.025 0.222 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.822 0.598 -1.279 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.774 0.571 0.224 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.828 -2.192 1.139 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -21.537 -1.696 1.142 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -21.041 -3.175 0.286 1.00 0.33 H new ATOM 135 N ILE A 9 -19.603 -1.485 -4.095 1.00 0.15 N ATOM 136 CA ILE A 9 -18.669 -2.403 -4.729 1.00 0.14 C ATOM 137 C ILE A 9 -17.486 -2.630 -3.790 1.00 0.13 C ATOM 138 O ILE A 9 -16.831 -1.670 -3.366 1.00 0.17 O ATOM 139 CB ILE A 9 -18.174 -1.907 -6.126 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.214 -2.162 -7.243 1.00 0.26 C ATOM 141 CG2 ILE A 9 -16.854 -2.578 -6.499 1.00 0.26 C ATOM 142 CD1 ILE A 9 -20.639 -1.730 -6.928 1.00 0.62 C ATOM 0 H ILE A 9 -19.244 -0.538 -3.974 1.00 0.15 H new ATOM 0 HA ILE A 9 -19.195 -3.340 -4.913 1.00 0.14 H new ATOM 0 HB ILE A 9 -18.029 -0.830 -6.042 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -18.887 -1.643 -8.144 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -19.219 -3.227 -7.473 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.526 -2.219 -7.475 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.099 -2.336 -5.751 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -16.993 -3.658 -6.538 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -21.284 -1.955 -7.778 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -20.996 -2.267 -6.049 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -20.659 -0.658 -6.731 1.00 0.62 H new ATOM 154 N LEU A 10 -17.275 -3.882 -3.389 1.00 0.12 N ATOM 155 CA LEU A 10 -16.182 -4.200 -2.480 1.00 0.13 C ATOM 156 C LEU A 10 -14.948 -4.582 -3.281 1.00 0.15 C ATOM 157 O LEU A 10 -14.919 -5.629 -3.936 1.00 0.25 O ATOM 158 CB LEU A 10 -16.526 -5.341 -1.490 1.00 0.14 C ATOM 159 CG LEU A 10 -17.724 -5.143 -0.549 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.765 -3.747 0.030 1.00 0.17 C ATOM 161 CD2 LEU A 10 -19.037 -5.497 -1.237 1.00 0.19 C ATOM 0 H LEU A 10 -17.840 -4.682 -3.676 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.996 -3.306 -1.885 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.704 -6.245 -2.072 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.645 -5.526 -0.875 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.591 -5.832 0.285 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.628 -3.652 0.689 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.853 -3.561 0.597 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.844 -3.020 -0.778 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.864 -5.346 -0.543 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -19.174 -4.859 -2.110 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -19.013 -6.541 -1.551 1.00 0.19 H new ATOM 173 N ASN A 11 -13.949 -3.711 -3.260 1.00 0.15 N ATOM 174 CA ASN A 11 -12.711 -3.948 -3.991 1.00 0.18 C ATOM 175 C ASN A 11 -11.617 -4.379 -3.025 1.00 0.20 C ATOM 176 O ASN A 11 -10.924 -3.548 -2.437 1.00 0.24 O ATOM 177 CB ASN A 11 -12.288 -2.677 -4.736 1.00 0.24 C ATOM 178 CG ASN A 11 -11.293 -2.941 -5.854 1.00 1.01 C ATOM 179 OD1 ASN A 11 -10.469 -3.855 -5.779 1.00 1.96 O ATOM 180 ND2 ASN A 11 -11.361 -2.132 -6.903 1.00 1.33 N ATOM 0 H ASN A 11 -13.971 -2.832 -2.744 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.874 -4.742 -4.720 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -13.173 -2.196 -5.152 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.849 -1.976 -4.026 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -10.717 -2.255 -7.685 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -12.057 -1.387 -6.928 1.00 1.33 H new ATOM 187 N GLY A 12 -11.544 -5.678 -2.799 1.00 0.21 N ATOM 188 CA GLY A 12 -10.533 -6.233 -1.925 1.00 0.26 C ATOM 189 C GLY A 12 -9.923 -7.486 -2.531 1.00 0.39 C ATOM 190 O GLY A 12 -10.635 -8.405 -2.910 1.00 0.91 O ATOM 0 H GLY A 12 -12.174 -6.367 -3.210 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.753 -5.493 -1.748 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -10.974 -6.470 -0.956 1.00 0.26 H new ATOM 194 N LYS A 13 -8.601 -7.502 -2.623 1.00 0.44 N ATOM 195 CA LYS A 13 -7.838 -8.595 -3.240 1.00 0.56 C ATOM 196 C LYS A 13 -8.250 -9.985 -2.748 1.00 0.66 C ATOM 197 O LYS A 13 -8.147 -10.958 -3.490 1.00 0.89 O ATOM 198 CB LYS A 13 -6.340 -8.388 -2.980 1.00 0.76 C ATOM 199 CG LYS A 13 -5.811 -7.050 -3.465 1.00 1.17 C ATOM 200 CD LYS A 13 -4.313 -6.945 -3.260 1.00 1.63 C ATOM 201 CE LYS A 13 -3.782 -5.605 -3.736 1.00 2.41 C ATOM 202 NZ LYS A 13 -2.298 -5.554 -3.697 1.00 3.26 N ATOM 0 H LYS A 13 -8.013 -6.748 -2.268 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.058 -8.561 -4.307 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -6.151 -8.476 -1.910 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -5.782 -9.187 -3.469 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -6.045 -6.925 -4.522 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.311 -6.243 -2.930 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -4.079 -7.077 -2.204 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -3.813 -7.749 -3.800 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -4.125 -5.419 -4.754 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -4.190 -4.810 -3.112 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -1.974 -4.623 -4.029 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -1.971 -5.707 -2.722 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -1.909 -6.296 -4.313 1.00 3.26 H new ATOM 216 N THR A 14 -8.707 -10.084 -1.513 1.00 0.76 N ATOM 217 CA THR A 14 -9.113 -11.374 -0.969 1.00 1.06 C ATOM 218 C THR A 14 -10.614 -11.597 -1.122 1.00 0.93 C ATOM 219 O THR A 14 -11.052 -12.683 -1.502 1.00 1.20 O ATOM 220 CB THR A 14 -8.717 -11.494 0.512 1.00 1.44 C ATOM 221 OG1 THR A 14 -9.046 -10.282 1.210 1.00 1.93 O ATOM 222 CG2 THR A 14 -7.230 -11.783 0.649 1.00 1.86 C ATOM 0 H THR A 14 -8.807 -9.298 -0.871 1.00 0.76 H new ATOM 0 HA THR A 14 -8.591 -12.143 -1.539 1.00 1.06 H new ATOM 0 HB THR A 14 -9.273 -12.322 0.951 1.00 1.44 H new ATOM 0 HG1 THR A 14 -8.792 -10.368 2.153 1.00 1.93 H new ATOM 0 HG21 THR A 14 -6.971 -11.864 1.705 1.00 1.86 H new ATOM 0 HG22 THR A 14 -6.993 -12.720 0.144 1.00 1.86 H new ATOM 0 HG23 THR A 14 -6.659 -10.973 0.196 1.00 1.86 H new ATOM 230 N LEU A 15 -11.393 -10.562 -0.861 1.00 0.64 N ATOM 231 CA LEU A 15 -12.839 -10.647 -0.949 1.00 0.66 C ATOM 232 C LEU A 15 -13.380 -9.490 -1.788 1.00 0.49 C ATOM 233 O LEU A 15 -13.276 -8.330 -1.394 1.00 0.55 O ATOM 234 CB LEU A 15 -13.435 -10.626 0.480 1.00 0.92 C ATOM 235 CG LEU A 15 -14.954 -10.795 0.613 1.00 1.07 C ATOM 236 CD1 LEU A 15 -15.657 -9.446 0.544 1.00 1.80 C ATOM 237 CD2 LEU A 15 -15.485 -11.729 -0.457 1.00 1.35 C ATOM 0 H LEU A 15 -11.043 -9.645 -0.584 1.00 0.64 H new ATOM 0 HA LEU A 15 -13.128 -11.578 -1.437 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -12.956 -11.417 1.057 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -13.159 -9.680 0.946 1.00 0.92 H new ATOM 0 HG LEU A 15 -15.161 -11.237 1.587 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -16.733 -9.591 0.641 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -15.303 -8.809 1.354 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -15.439 -8.971 -0.413 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -16.564 -11.835 -0.345 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -15.261 -11.319 -1.442 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -15.012 -12.706 -0.355 1.00 1.35 H new ATOM 249 N LYS A 16 -13.868 -9.804 -2.983 1.00 0.42 N ATOM 250 CA LYS A 16 -14.483 -8.799 -3.840 1.00 0.37 C ATOM 251 C LYS A 16 -15.963 -9.129 -3.980 1.00 0.43 C ATOM 252 O LYS A 16 -16.366 -10.283 -3.814 1.00 0.58 O ATOM 253 CB LYS A 16 -13.846 -8.743 -5.245 1.00 0.45 C ATOM 254 CG LYS A 16 -12.328 -8.883 -5.302 1.00 0.43 C ATOM 255 CD LYS A 16 -11.935 -10.331 -5.408 1.00 1.03 C ATOM 256 CE LYS A 16 -10.432 -10.522 -5.452 1.00 1.81 C ATOM 257 NZ LYS A 16 -9.852 -10.130 -6.765 1.00 2.49 N ATOM 0 H LYS A 16 -13.850 -10.744 -3.379 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.329 -7.824 -3.377 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -14.286 -9.534 -5.853 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -14.120 -7.795 -5.708 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -11.938 -8.331 -6.157 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -11.883 -8.444 -4.409 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -12.343 -10.878 -4.558 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -12.379 -10.760 -6.306 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -9.969 -9.931 -4.662 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -10.194 -11.566 -5.249 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -8.823 -10.278 -6.748 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -10.273 -10.711 -7.518 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -10.055 -9.127 -6.948 1.00 2.49 H new ATOM 271 N GLY A 17 -16.769 -8.129 -4.282 1.00 0.33 N ATOM 272 CA GLY A 17 -18.196 -8.341 -4.393 1.00 0.39 C ATOM 273 C GLY A 17 -18.933 -7.058 -4.680 1.00 0.26 C ATOM 274 O GLY A 17 -18.314 -6.005 -4.847 1.00 0.23 O ATOM 0 H GLY A 17 -16.462 -7.171 -4.453 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.396 -9.060 -5.187 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.572 -8.776 -3.467 1.00 0.39 H new ATOM 278 N GLU A 18 -20.252 -7.131 -4.656 1.00 0.28 N ATOM 279 CA GLU A 18 -21.096 -5.968 -4.913 1.00 0.23 C ATOM 280 C GLU A 18 -22.525 -6.236 -4.465 1.00 0.29 C ATOM 281 O GLU A 18 -22.982 -7.379 -4.466 1.00 0.49 O ATOM 282 CB GLU A 18 -21.056 -5.570 -6.398 1.00 0.46 C ATOM 283 CG GLU A 18 -21.055 -6.752 -7.357 1.00 0.70 C ATOM 284 CD GLU A 18 -21.240 -6.337 -8.803 1.00 1.17 C ATOM 285 OE1 GLU A 18 -22.320 -6.597 -9.366 1.00 1.69 O ATOM 286 OE2 GLU A 18 -20.312 -5.726 -9.373 1.00 1.69 O ATOM 0 H GLU A 18 -20.769 -7.988 -4.460 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.704 -5.132 -4.334 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -21.917 -4.938 -6.617 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -20.165 -4.969 -6.578 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -20.115 -7.294 -7.257 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -21.852 -7.441 -7.077 1.00 0.70 H new ATOM 293 N THR A 19 -23.222 -5.175 -4.068 1.00 0.22 N ATOM 294 CA THR A 19 -24.586 -5.300 -3.560 1.00 0.32 C ATOM 295 C THR A 19 -25.297 -3.943 -3.562 1.00 0.29 C ATOM 296 O THR A 19 -24.705 -2.926 -3.932 1.00 0.31 O ATOM 297 CB THR A 19 -24.589 -5.897 -2.129 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.932 -6.150 -1.692 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.905 -4.949 -1.139 1.00 0.45 C ATOM 0 H THR A 19 -22.866 -4.219 -4.088 1.00 0.22 H new ATOM 0 HA THR A 19 -25.126 -5.977 -4.222 1.00 0.32 H new ATOM 0 HB THR A 19 -24.036 -6.836 -2.161 1.00 0.44 H new ATOM 0 HG1 THR A 19 -25.916 -6.528 -0.788 1.00 0.58 H new ATOM 0 HG21 THR A 19 -23.920 -5.391 -0.143 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.873 -4.784 -1.447 1.00 0.45 H new ATOM 0 HG23 THR A 19 -24.435 -3.997 -1.122 1.00 0.45 H new ATOM 307 N THR A 20 -26.560 -3.936 -3.142 1.00 0.27 N ATOM 308 CA THR A 20 -27.365 -2.725 -3.119 1.00 0.24 C ATOM 309 C THR A 20 -28.199 -2.641 -1.841 1.00 0.25 C ATOM 310 O THR A 20 -28.435 -3.654 -1.176 1.00 0.31 O ATOM 311 CB THR A 20 -28.314 -2.663 -4.338 1.00 0.30 C ATOM 312 OG1 THR A 20 -29.076 -3.875 -4.430 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.551 -2.449 -5.644 1.00 0.32 C ATOM 0 H THR A 20 -27.049 -4.767 -2.810 1.00 0.27 H new ATOM 0 HA THR A 20 -26.673 -1.883 -3.155 1.00 0.24 H new ATOM 0 HB THR A 20 -28.979 -1.812 -4.189 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.676 -3.827 -5.204 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.255 -2.412 -6.475 1.00 0.32 H new ATOM 0 HG22 THR A 20 -26.999 -1.510 -5.593 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.853 -3.272 -5.797 1.00 0.32 H new ATOM 321 N THR A 21 -28.636 -1.434 -1.499 1.00 0.23 N ATOM 322 CA THR A 21 -29.491 -1.231 -0.332 1.00 0.26 C ATOM 323 C THR A 21 -30.417 -0.040 -0.567 1.00 0.25 C ATOM 324 O THR A 21 -30.155 0.806 -1.430 1.00 0.26 O ATOM 325 CB THR A 21 -28.688 -1.020 0.979 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.550 -1.225 2.105 1.00 0.38 O ATOM 327 CG2 THR A 21 -28.102 0.393 1.054 1.00 0.28 C ATOM 0 H THR A 21 -28.413 -0.581 -2.012 1.00 0.23 H new ATOM 0 HA THR A 21 -30.074 -2.143 -0.205 1.00 0.26 H new ATOM 0 HB THR A 21 -27.867 -1.737 0.990 1.00 0.31 H new ATOM 0 HG1 THR A 21 -29.043 -1.094 2.933 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.546 0.507 1.984 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.433 0.555 0.209 1.00 0.28 H new ATOM 0 HG23 THR A 21 -28.910 1.124 1.022 1.00 0.28 H new ATOM 335 N GLU A 22 -31.529 -0.019 0.145 1.00 0.31 N ATOM 336 CA GLU A 22 -32.503 1.051 0.017 1.00 0.36 C ATOM 337 C GLU A 22 -32.425 1.985 1.233 1.00 0.36 C ATOM 338 O GLU A 22 -32.789 1.607 2.346 1.00 0.58 O ATOM 339 CB GLU A 22 -33.918 0.444 -0.116 1.00 0.51 C ATOM 340 CG GLU A 22 -34.290 -0.499 1.019 1.00 1.16 C ATOM 341 CD GLU A 22 -35.680 -1.068 0.853 1.00 1.77 C ATOM 342 OE1 GLU A 22 -35.809 -2.224 0.403 1.00 2.26 O ATOM 343 OE2 GLU A 22 -36.655 -0.357 1.173 1.00 2.24 O ATOM 0 H GLU A 22 -31.782 -0.737 0.824 1.00 0.31 H new ATOM 0 HA GLU A 22 -32.285 1.637 -0.876 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.648 1.253 -0.158 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -33.985 -0.095 -1.061 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -33.568 -1.314 1.064 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -34.228 0.034 1.968 1.00 1.16 H new ATOM 350 N ALA A 23 -31.920 3.196 1.026 1.00 0.26 N ATOM 351 CA ALA A 23 -31.783 4.160 2.120 1.00 0.28 C ATOM 352 C ALA A 23 -32.210 5.545 1.642 1.00 0.31 C ATOM 353 O ALA A 23 -32.289 5.779 0.440 1.00 0.38 O ATOM 354 CB ALA A 23 -30.341 4.185 2.624 1.00 0.32 C ATOM 0 H ALA A 23 -31.600 3.535 0.119 1.00 0.26 H new ATOM 0 HA ALA A 23 -32.428 3.860 2.946 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -30.252 4.905 3.437 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -30.065 3.194 2.985 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.676 4.473 1.810 1.00 0.32 H new ATOM 360 N VAL A 24 -32.536 6.447 2.563 1.00 0.35 N ATOM 361 CA VAL A 24 -32.948 7.793 2.179 1.00 0.45 C ATOM 362 C VAL A 24 -31.887 8.836 2.531 1.00 0.49 C ATOM 363 O VAL A 24 -32.119 10.035 2.388 1.00 0.74 O ATOM 364 CB VAL A 24 -34.290 8.184 2.833 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.419 7.316 2.300 1.00 1.05 C ATOM 366 CG2 VAL A 24 -34.210 8.075 4.347 1.00 1.09 C ATOM 0 H VAL A 24 -32.524 6.274 3.568 1.00 0.35 H new ATOM 0 HA VAL A 24 -33.074 7.778 1.096 1.00 0.45 H new ATOM 0 HB VAL A 24 -34.498 9.223 2.576 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.357 7.607 2.773 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -35.501 7.448 1.221 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -35.210 6.270 2.523 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -35.169 8.356 4.783 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -33.971 7.049 4.626 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -33.433 8.742 4.719 1.00 1.09 H new ATOM 376 N ASP A 25 -30.716 8.381 2.966 1.00 0.39 N ATOM 377 CA ASP A 25 -29.645 9.296 3.353 1.00 0.45 C ATOM 378 C ASP A 25 -28.285 8.733 2.962 1.00 0.39 C ATOM 379 O ASP A 25 -28.064 7.524 3.059 1.00 0.35 O ATOM 380 CB ASP A 25 -29.638 9.547 4.864 1.00 0.54 C ATOM 381 CG ASP A 25 -30.809 10.367 5.349 1.00 1.25 C ATOM 382 OD1 ASP A 25 -30.777 11.603 5.193 1.00 1.51 O ATOM 383 OD2 ASP A 25 -31.758 9.778 5.912 1.00 2.13 O ATOM 0 H ASP A 25 -30.484 7.392 3.059 1.00 0.39 H new ATOM 0 HA ASP A 25 -29.830 10.234 2.829 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -29.638 8.588 5.383 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -28.713 10.056 5.134 1.00 0.54 H new ATOM 388 N ALA A 26 -27.367 9.610 2.563 1.00 0.44 N ATOM 389 CA ALA A 26 -26.015 9.200 2.212 1.00 0.46 C ATOM 390 C ALA A 26 -25.299 8.640 3.434 1.00 0.38 C ATOM 391 O ALA A 26 -24.672 7.581 3.371 1.00 0.37 O ATOM 392 CB ALA A 26 -25.243 10.381 1.641 1.00 0.59 C ATOM 0 H ALA A 26 -27.538 10.612 2.475 1.00 0.44 H new ATOM 0 HA ALA A 26 -26.070 8.418 1.455 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -24.233 10.064 1.382 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -25.749 10.749 0.748 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -25.194 11.177 2.384 1.00 0.59 H new ATOM 398 N ALA A 27 -25.444 9.334 4.561 1.00 0.39 N ATOM 399 CA ALA A 27 -24.817 8.909 5.806 1.00 0.38 C ATOM 400 C ALA A 27 -25.336 7.543 6.235 1.00 0.31 C ATOM 401 O ALA A 27 -24.570 6.692 6.671 1.00 0.32 O ATOM 402 CB ALA A 27 -25.058 9.934 6.902 1.00 0.48 C ATOM 0 H ALA A 27 -25.990 10.192 4.635 1.00 0.39 H new ATOM 0 HA ALA A 27 -23.744 8.829 5.635 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.582 9.599 7.824 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.635 10.893 6.603 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -26.130 10.046 7.066 1.00 0.48 H new ATOM 408 N THR A 28 -26.633 7.326 6.074 1.00 0.31 N ATOM 409 CA THR A 28 -27.243 6.052 6.451 1.00 0.30 C ATOM 410 C THR A 28 -26.726 4.912 5.574 1.00 0.24 C ATOM 411 O THR A 28 -26.525 3.797 6.055 1.00 0.28 O ATOM 412 CB THR A 28 -28.781 6.109 6.358 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.264 7.251 7.079 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.408 4.843 6.935 1.00 0.45 C ATOM 0 H THR A 28 -27.284 8.010 5.687 1.00 0.31 H new ATOM 0 HA THR A 28 -26.962 5.863 7.487 1.00 0.30 H new ATOM 0 HB THR A 28 -29.060 6.188 5.307 1.00 0.36 H new ATOM 0 HG1 THR A 28 -30.217 7.379 6.888 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.493 4.907 6.858 1.00 0.45 H new ATOM 0 HG22 THR A 28 -29.055 3.975 6.377 1.00 0.45 H new ATOM 0 HG23 THR A 28 -29.124 4.741 7.982 1.00 0.45 H new ATOM 422 N ALA A 29 -26.451 5.212 4.307 1.00 0.21 N ATOM 423 CA ALA A 29 -25.960 4.203 3.384 1.00 0.22 C ATOM 424 C ALA A 29 -24.552 3.806 3.787 1.00 0.21 C ATOM 425 O ALA A 29 -24.181 2.633 3.746 1.00 0.25 O ATOM 426 CB ALA A 29 -25.989 4.730 1.958 1.00 0.28 C ATOM 0 H ALA A 29 -26.560 6.142 3.902 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.604 3.324 3.426 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -25.618 3.962 1.279 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.012 4.991 1.687 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.357 5.615 1.884 1.00 0.28 H new ATOM 432 N GLU A 30 -23.802 4.800 4.236 1.00 0.19 N ATOM 433 CA GLU A 30 -22.453 4.596 4.710 1.00 0.20 C ATOM 434 C GLU A 30 -22.477 3.746 5.980 1.00 0.20 C ATOM 435 O GLU A 30 -21.941 2.645 6.007 1.00 0.23 O ATOM 436 CB GLU A 30 -21.806 5.945 5.021 1.00 0.24 C ATOM 437 CG GLU A 30 -20.290 5.915 4.995 1.00 0.35 C ATOM 438 CD GLU A 30 -19.672 7.148 5.618 1.00 0.50 C ATOM 439 OE1 GLU A 30 -19.568 8.184 4.931 1.00 1.14 O ATOM 440 OE2 GLU A 30 -19.290 7.087 6.806 1.00 1.29 O ATOM 0 H GLU A 30 -24.117 5.769 4.280 1.00 0.19 H new ATOM 0 HA GLU A 30 -21.878 4.085 3.938 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.158 6.682 4.299 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -22.137 6.279 6.004 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -19.939 5.030 5.525 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -19.950 5.824 3.963 1.00 0.35 H new ATOM 447 N LYS A 31 -23.205 4.232 6.988 1.00 0.20 N ATOM 448 CA LYS A 31 -23.278 3.582 8.302 1.00 0.24 C ATOM 449 C LYS A 31 -23.606 2.085 8.220 1.00 0.22 C ATOM 450 O LYS A 31 -22.939 1.270 8.857 1.00 0.26 O ATOM 451 CB LYS A 31 -24.310 4.282 9.197 1.00 0.29 C ATOM 452 CG LYS A 31 -23.985 5.730 9.502 1.00 0.39 C ATOM 453 CD LYS A 31 -25.167 6.444 10.132 1.00 1.10 C ATOM 454 CE LYS A 31 -25.518 5.857 11.489 1.00 1.86 C ATOM 455 NZ LYS A 31 -24.416 6.018 12.473 1.00 2.42 N ATOM 0 H LYS A 31 -23.760 5.085 6.918 1.00 0.20 H new ATOM 0 HA LYS A 31 -22.283 3.673 8.737 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -25.286 4.234 8.714 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -24.392 3.734 10.136 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -23.129 5.778 10.175 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -23.697 6.241 8.583 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -24.936 7.504 10.242 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -26.030 6.373 9.470 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -26.417 6.341 11.871 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -25.750 4.798 11.376 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -24.766 5.793 13.426 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -23.636 5.375 12.229 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -24.074 7.000 12.453 1.00 2.42 H new ATOM 469 N VAL A 32 -24.606 1.725 7.422 1.00 0.20 N ATOM 470 CA VAL A 32 -25.031 0.333 7.323 1.00 0.22 C ATOM 471 C VAL A 32 -24.005 -0.497 6.561 1.00 0.18 C ATOM 472 O VAL A 32 -23.600 -1.571 7.010 1.00 0.20 O ATOM 473 CB VAL A 32 -26.407 0.208 6.631 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.830 -1.247 6.508 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.464 0.993 7.389 1.00 0.29 C ATOM 0 H VAL A 32 -25.134 2.373 6.838 1.00 0.20 H new ATOM 0 HA VAL A 32 -25.117 -0.047 8.341 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.310 0.624 5.628 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.802 -1.303 6.017 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -26.093 -1.791 5.917 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -26.899 -1.691 7.501 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.425 0.891 6.884 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.545 0.607 8.405 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -27.182 2.045 7.422 1.00 0.29 H new ATOM 485 N PHE A 33 -23.551 0.021 5.430 1.00 0.16 N ATOM 486 CA PHE A 33 -22.579 -0.695 4.610 1.00 0.15 C ATOM 487 C PHE A 33 -21.204 -0.756 5.281 1.00 0.15 C ATOM 488 O PHE A 33 -20.412 -1.647 4.983 1.00 0.17 O ATOM 489 CB PHE A 33 -22.442 -0.062 3.226 1.00 0.17 C ATOM 490 CG PHE A 33 -23.437 -0.536 2.204 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.902 -1.842 2.205 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.886 0.327 1.215 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.796 -2.275 1.242 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.783 -0.099 0.253 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.237 -1.402 0.265 1.00 0.29 C ATOM 0 H PHE A 33 -23.836 0.927 5.059 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.957 -1.711 4.499 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.537 1.019 3.328 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.438 -0.260 2.851 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.563 -2.529 2.966 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.530 1.346 1.196 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -25.150 -3.295 1.254 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -25.128 0.587 -0.507 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.935 -1.739 -0.487 1.00 0.29 H new ATOM 505 N LYS A 34 -20.913 0.184 6.173 1.00 0.16 N ATOM 506 CA LYS A 34 -19.639 0.185 6.871 1.00 0.20 C ATOM 507 C LYS A 34 -19.545 -1.009 7.805 1.00 0.20 C ATOM 508 O LYS A 34 -18.551 -1.719 7.801 1.00 0.22 O ATOM 509 CB LYS A 34 -19.435 1.489 7.651 1.00 0.29 C ATOM 510 CG LYS A 34 -19.038 2.681 6.789 1.00 0.43 C ATOM 511 CD LYS A 34 -18.423 3.794 7.634 1.00 0.38 C ATOM 512 CE LYS A 34 -17.038 3.400 8.127 1.00 0.46 C ATOM 513 NZ LYS A 34 -16.479 4.394 9.074 1.00 1.09 N ATOM 0 H LYS A 34 -21.539 0.949 6.427 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.848 0.111 6.125 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.357 1.730 8.180 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.666 1.330 8.407 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -18.325 2.362 6.029 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -19.914 3.061 6.264 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -18.357 4.709 7.045 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -19.069 4.009 8.485 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -17.091 2.426 8.614 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.367 3.295 7.275 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -15.535 4.086 9.384 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -16.404 5.318 8.603 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -17.105 4.476 9.900 1.00 1.09 H new ATOM 527 N GLN A 35 -20.603 -1.251 8.569 1.00 0.21 N ATOM 528 CA GLN A 35 -20.655 -2.393 9.470 1.00 0.24 C ATOM 529 C GLN A 35 -20.624 -3.668 8.628 1.00 0.21 C ATOM 530 O GLN A 35 -19.988 -4.656 8.990 1.00 0.24 O ATOM 531 CB GLN A 35 -21.940 -2.294 10.350 1.00 0.32 C ATOM 532 CG GLN A 35 -22.060 -3.251 11.556 1.00 0.43 C ATOM 533 CD GLN A 35 -22.232 -4.712 11.185 1.00 1.28 C ATOM 534 OE1 GLN A 35 -22.944 -4.979 10.098 1.00 2.20 O flip ATOM 535 NE2 GLN A 35 -21.762 -5.599 11.901 1.00 1.82 N flip ATOM 0 H GLN A 35 -21.440 -0.668 8.582 1.00 0.21 H new ATOM 0 HA GLN A 35 -19.800 -2.408 10.146 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -22.012 -1.273 10.724 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -22.802 -2.459 9.704 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -21.169 -3.149 12.175 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -22.909 -2.942 12.166 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -21.220 -5.352 12.729 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -21.915 -6.579 11.665 1.00 1.82 H new ATOM 544 N TYR A 36 -21.227 -3.578 7.444 1.00 0.19 N ATOM 545 CA TYR A 36 -21.265 -4.680 6.491 1.00 0.18 C ATOM 546 C TYR A 36 -19.856 -5.010 5.992 1.00 0.17 C ATOM 547 O TYR A 36 -19.390 -6.145 6.100 1.00 0.19 O ATOM 548 CB TYR A 36 -22.170 -4.292 5.317 1.00 0.19 C ATOM 549 CG TYR A 36 -22.087 -5.220 4.125 1.00 0.21 C ATOM 550 CD1 TYR A 36 -22.746 -6.445 4.098 1.00 1.21 C ATOM 551 CD2 TYR A 36 -21.353 -4.848 3.013 1.00 1.11 C ATOM 552 CE1 TYR A 36 -22.671 -7.267 2.986 1.00 1.24 C ATOM 553 CE2 TYR A 36 -21.269 -5.660 1.902 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.932 -6.869 1.892 1.00 0.34 C ATOM 555 OH TYR A 36 -21.858 -7.684 0.786 1.00 0.42 O ATOM 0 H TYR A 36 -21.703 -2.736 7.120 1.00 0.19 H new ATOM 0 HA TYR A 36 -21.663 -5.568 6.981 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.202 -4.261 5.666 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -21.912 -3.283 4.994 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -23.323 -6.759 4.955 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -20.834 -3.901 3.015 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -23.189 -8.215 2.976 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -20.688 -5.351 1.046 1.00 1.12 H new ATOM 0 HH TYR A 36 -21.300 -7.258 0.102 1.00 0.42 H new ATOM 565 N ALA A 37 -19.172 -3.992 5.484 1.00 0.15 N ATOM 566 CA ALA A 37 -17.825 -4.146 4.958 1.00 0.16 C ATOM 567 C ALA A 37 -16.842 -4.484 6.071 1.00 0.18 C ATOM 568 O ALA A 37 -15.992 -5.362 5.917 1.00 0.22 O ATOM 569 CB ALA A 37 -17.404 -2.864 4.249 1.00 0.17 C ATOM 0 H ALA A 37 -19.535 -3.041 5.426 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.820 -4.970 4.245 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.394 -2.981 3.855 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -18.092 -2.659 3.429 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.424 -2.034 4.955 1.00 0.17 H new ATOM 575 N ASN A 38 -17.020 -3.832 7.210 1.00 0.20 N ATOM 576 CA ASN A 38 -16.142 -4.013 8.364 1.00 0.26 C ATOM 577 C ASN A 38 -16.215 -5.451 8.861 1.00 0.28 C ATOM 578 O ASN A 38 -15.212 -6.013 9.305 1.00 0.36 O ATOM 579 CB ASN A 38 -16.531 -3.041 9.507 1.00 0.31 C ATOM 580 CG ASN A 38 -15.530 -3.041 10.666 1.00 0.44 C ATOM 581 OD1 ASN A 38 -15.578 -3.918 11.532 1.00 1.03 O ATOM 582 ND2 ASN A 38 -14.654 -2.031 10.741 1.00 1.39 N ATOM 0 H ASN A 38 -17.775 -3.163 7.364 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.121 -3.794 8.053 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -16.611 -2.031 9.105 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -17.516 -3.312 9.886 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -14.007 -1.975 11.527 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -14.634 -1.318 10.012 1.00 1.39 H new ATOM 589 N ASP A 39 -17.394 -6.051 8.755 1.00 0.30 N ATOM 590 CA ASP A 39 -17.587 -7.433 9.181 1.00 0.38 C ATOM 591 C ASP A 39 -16.798 -8.388 8.285 1.00 0.33 C ATOM 592 O ASP A 39 -16.183 -9.340 8.767 1.00 0.41 O ATOM 593 CB ASP A 39 -19.073 -7.799 9.156 1.00 0.53 C ATOM 594 CG ASP A 39 -19.346 -9.155 9.773 1.00 1.14 C ATOM 595 OD1 ASP A 39 -19.218 -10.172 9.057 1.00 1.78 O ATOM 596 OD2 ASP A 39 -19.690 -9.214 10.970 1.00 1.77 O ATOM 0 H ASP A 39 -18.230 -5.604 8.379 1.00 0.30 H new ATOM 0 HA ASP A 39 -17.219 -7.528 10.202 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -19.640 -7.038 9.692 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -19.428 -7.794 8.125 1.00 0.53 H new ATOM 601 N ASN A 40 -16.768 -8.097 6.985 1.00 0.28 N ATOM 602 CA ASN A 40 -16.027 -8.922 6.034 1.00 0.34 C ATOM 603 C ASN A 40 -14.531 -8.645 6.140 1.00 0.32 C ATOM 604 O ASN A 40 -13.707 -9.404 5.628 1.00 0.46 O ATOM 605 CB ASN A 40 -16.508 -8.643 4.605 1.00 0.42 C ATOM 606 CG ASN A 40 -17.998 -8.803 4.456 1.00 0.92 C ATOM 607 OD1 ASN A 40 -18.612 -9.673 5.072 1.00 1.78 O ATOM 608 ND2 ASN A 40 -18.595 -7.946 3.657 1.00 0.78 N ATOM 0 H ASN A 40 -17.247 -7.299 6.568 1.00 0.28 H new ATOM 0 HA ASN A 40 -16.208 -9.970 6.273 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -16.225 -7.629 4.321 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -16.003 -9.320 3.916 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -19.606 -7.987 3.529 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -18.047 -7.240 3.165 1.00 0.78 H new ATOM 615 N GLY A 41 -14.187 -7.571 6.842 1.00 0.25 N ATOM 616 CA GLY A 41 -12.797 -7.194 6.998 1.00 0.33 C ATOM 617 C GLY A 41 -12.352 -6.163 5.979 1.00 0.28 C ATOM 618 O GLY A 41 -11.160 -5.885 5.850 1.00 0.37 O ATOM 0 H GLY A 41 -14.851 -6.953 7.308 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -12.643 -6.797 8.001 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.172 -8.082 6.907 1.00 0.33 H new ATOM 622 N VAL A 42 -13.304 -5.591 5.248 1.00 0.23 N ATOM 623 CA VAL A 42 -12.990 -4.601 4.245 1.00 0.26 C ATOM 624 C VAL A 42 -13.173 -3.197 4.795 1.00 0.36 C ATOM 625 O VAL A 42 -14.289 -2.694 4.930 1.00 0.46 O ATOM 626 CB VAL A 42 -13.846 -4.791 2.983 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.408 -3.815 1.904 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.726 -6.223 2.496 1.00 0.29 C ATOM 0 H VAL A 42 -14.298 -5.802 5.338 1.00 0.23 H new ATOM 0 HA VAL A 42 -11.944 -4.735 3.970 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.891 -4.590 3.220 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -14.021 -3.958 1.014 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -13.527 -2.794 2.267 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -12.361 -3.992 1.656 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.334 -6.355 1.601 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.684 -6.442 2.262 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -14.074 -6.902 3.274 1.00 0.29 H new ATOM 638 N ASP A 43 -12.064 -2.600 5.157 1.00 0.42 N ATOM 639 CA ASP A 43 -12.055 -1.235 5.669 1.00 0.55 C ATOM 640 C ASP A 43 -11.015 -0.425 4.898 1.00 0.47 C ATOM 641 O ASP A 43 -9.813 -0.602 5.092 1.00 0.68 O ATOM 642 CB ASP A 43 -11.744 -1.203 7.176 1.00 0.80 C ATOM 643 CG ASP A 43 -12.091 0.135 7.816 1.00 1.29 C ATOM 644 OD1 ASP A 43 -13.056 0.184 8.613 1.00 1.86 O ATOM 645 OD2 ASP A 43 -11.403 1.138 7.531 1.00 1.80 O ATOM 0 H ASP A 43 -11.143 -3.036 5.109 1.00 0.42 H new ATOM 0 HA ASP A 43 -13.045 -0.800 5.530 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -12.301 -1.996 7.675 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -10.685 -1.412 7.330 1.00 0.80 H new ATOM 650 N GLY A 44 -11.472 0.379 3.947 1.00 0.43 N ATOM 651 CA GLY A 44 -10.560 1.149 3.134 1.00 0.37 C ATOM 652 C GLY A 44 -11.138 2.494 2.783 1.00 0.34 C ATOM 653 O GLY A 44 -12.165 2.885 3.336 1.00 0.38 O ATOM 0 H GLY A 44 -12.459 0.510 3.726 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.619 1.284 3.668 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -10.332 0.600 2.221 1.00 0.37 H new ATOM 657 N GLU A 45 -10.468 3.214 1.895 1.00 0.34 N ATOM 658 CA GLU A 45 -10.929 4.529 1.474 1.00 0.35 C ATOM 659 C GLU A 45 -12.259 4.428 0.736 1.00 0.29 C ATOM 660 O GLU A 45 -12.511 3.457 0.011 1.00 0.43 O ATOM 661 CB GLU A 45 -9.882 5.213 0.596 1.00 0.45 C ATOM 662 CG GLU A 45 -9.170 6.361 1.297 1.00 1.27 C ATOM 663 CD GLU A 45 -10.080 7.547 1.580 1.00 2.01 C ATOM 664 OE1 GLU A 45 -11.112 7.370 2.268 1.00 2.79 O ATOM 665 OE2 GLU A 45 -9.762 8.664 1.122 1.00 2.57 O ATOM 0 H GLU A 45 -9.602 2.909 1.451 1.00 0.34 H new ATOM 0 HA GLU A 45 -11.079 5.135 2.367 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -9.144 4.475 0.280 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -10.364 5.589 -0.306 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -8.751 6.001 2.236 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -8.334 6.692 0.681 1.00 1.27 H new ATOM 672 N TRP A 46 -13.091 5.449 0.898 1.00 0.22 N ATOM 673 CA TRP A 46 -14.423 5.448 0.301 1.00 0.24 C ATOM 674 C TRP A 46 -14.531 6.463 -0.828 1.00 0.28 C ATOM 675 O TRP A 46 -14.134 7.621 -0.684 1.00 0.41 O ATOM 676 CB TRP A 46 -15.515 5.726 1.356 1.00 0.31 C ATOM 677 CG TRP A 46 -15.867 4.515 2.179 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.986 3.726 2.860 1.00 0.32 C ATOM 679 CD2 TRP A 46 -17.175 3.947 2.417 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.645 2.707 3.491 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.984 2.822 3.244 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.492 4.270 2.028 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -18.035 2.019 3.665 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.533 3.466 2.463 1.00 0.32 C ATOM 685 CH2 TRP A 46 -19.299 2.359 3.277 1.00 0.35 C ATOM 0 H TRP A 46 -12.869 6.287 1.436 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.581 4.451 -0.111 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -15.176 6.522 2.019 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -16.412 6.089 0.854 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.918 3.884 2.896 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -15.207 1.979 4.055 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.685 5.129 1.402 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.858 1.150 4.282 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.544 3.701 2.166 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -20.134 1.759 3.607 1.00 0.35 H new ATOM 696 N THR A 47 -15.058 6.012 -1.953 1.00 0.29 N ATOM 697 CA THR A 47 -15.290 6.882 -3.098 1.00 0.35 C ATOM 698 C THR A 47 -16.770 6.817 -3.469 1.00 0.31 C ATOM 699 O THR A 47 -17.378 5.742 -3.400 1.00 0.28 O ATOM 700 CB THR A 47 -14.417 6.478 -4.304 1.00 0.43 C ATOM 701 OG1 THR A 47 -13.441 5.519 -3.881 1.00 0.53 O ATOM 702 CG2 THR A 47 -13.711 7.694 -4.883 1.00 0.63 C ATOM 0 H THR A 47 -15.336 5.042 -2.101 1.00 0.29 H new ATOM 0 HA THR A 47 -15.014 7.901 -2.828 1.00 0.35 H new ATOM 0 HB THR A 47 -15.057 6.045 -5.073 1.00 0.43 H new ATOM 0 HG1 THR A 47 -12.886 5.259 -4.645 1.00 0.53 H new ATOM 0 HG21 THR A 47 -13.100 7.390 -5.733 1.00 0.63 H new ATOM 0 HG22 THR A 47 -14.452 8.423 -5.211 1.00 0.63 H new ATOM 0 HG23 THR A 47 -13.074 8.142 -4.120 1.00 0.63 H new ATOM 710 N TYR A 48 -17.369 7.954 -3.802 1.00 0.38 N ATOM 711 CA TYR A 48 -18.792 7.990 -4.095 1.00 0.37 C ATOM 712 C TYR A 48 -19.083 8.832 -5.336 1.00 0.42 C ATOM 713 O TYR A 48 -18.324 9.736 -5.683 1.00 0.51 O ATOM 714 CB TYR A 48 -19.544 8.526 -2.862 1.00 0.41 C ATOM 715 CG TYR A 48 -20.986 8.946 -3.088 1.00 0.44 C ATOM 716 CD1 TYR A 48 -21.380 10.279 -2.999 1.00 1.14 C ATOM 717 CD2 TYR A 48 -21.951 8.002 -3.423 1.00 1.15 C ATOM 718 CE1 TYR A 48 -22.688 10.654 -3.237 1.00 1.18 C ATOM 719 CE2 TYR A 48 -23.262 8.372 -3.658 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.636 9.732 -3.440 1.00 0.61 C ATOM 721 OH TYR A 48 -24.932 10.075 -3.806 1.00 0.70 O ATOM 0 H TYR A 48 -16.895 8.854 -3.875 1.00 0.38 H new ATOM 0 HA TYR A 48 -19.139 6.980 -4.314 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.528 7.757 -2.090 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -18.995 9.382 -2.471 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -20.651 11.032 -2.740 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -21.671 6.962 -3.501 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -22.948 11.702 -3.259 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -23.987 7.648 -3.999 1.00 1.18 H new ATOM 0 HH TYR A 48 -24.948 11.002 -4.124 1.00 0.70 H new ATOM 731 N ASP A 49 -20.184 8.513 -6.000 1.00 0.42 N ATOM 732 CA ASP A 49 -20.632 9.268 -7.184 1.00 0.51 C ATOM 733 C ASP A 49 -22.111 9.569 -7.013 1.00 0.53 C ATOM 734 O ASP A 49 -22.901 8.666 -6.731 1.00 0.55 O ATOM 735 CB ASP A 49 -20.383 8.522 -8.525 1.00 0.57 C ATOM 736 CG ASP A 49 -21.059 9.215 -9.688 1.00 1.22 C ATOM 737 OD1 ASP A 49 -20.754 10.405 -9.924 1.00 2.07 O ATOM 738 OD2 ASP A 49 -21.878 8.579 -10.380 1.00 1.52 O ATOM 0 H ASP A 49 -20.793 7.735 -5.746 1.00 0.42 H new ATOM 0 HA ASP A 49 -20.044 10.184 -7.245 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -19.311 8.460 -8.712 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -20.753 7.500 -8.446 1.00 0.57 H new ATOM 743 N ASP A 50 -22.503 10.823 -7.196 1.00 0.68 N ATOM 744 CA ASP A 50 -23.880 11.215 -6.903 1.00 0.76 C ATOM 745 C ASP A 50 -24.784 10.968 -8.101 1.00 0.73 C ATOM 746 O ASP A 50 -26.006 10.973 -7.975 1.00 0.84 O ATOM 747 CB ASP A 50 -23.955 12.687 -6.473 1.00 1.00 C ATOM 748 CG ASP A 50 -25.330 13.052 -5.957 1.00 1.56 C ATOM 749 OD1 ASP A 50 -25.886 14.071 -6.417 1.00 2.28 O ATOM 750 OD2 ASP A 50 -25.864 12.325 -5.100 1.00 2.15 O ATOM 0 H ASP A 50 -21.904 11.574 -7.538 1.00 0.68 H new ATOM 0 HA ASP A 50 -24.230 10.598 -6.075 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -23.213 12.877 -5.697 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -23.703 13.326 -7.319 1.00 1.00 H new ATOM 755 N ALA A 51 -24.180 10.724 -9.254 1.00 0.70 N ATOM 756 CA ALA A 51 -24.942 10.466 -10.465 1.00 0.78 C ATOM 757 C ALA A 51 -25.555 9.066 -10.449 1.00 0.75 C ATOM 758 O ALA A 51 -26.656 8.859 -10.962 1.00 0.91 O ATOM 759 CB ALA A 51 -24.062 10.654 -11.692 1.00 0.91 C ATOM 0 H ALA A 51 -23.168 10.699 -9.376 1.00 0.70 H new ATOM 0 HA ALA A 51 -25.761 11.184 -10.508 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -24.645 10.458 -12.592 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -23.688 11.678 -11.718 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -23.221 9.962 -11.646 1.00 0.91 H new ATOM 765 N THR A 52 -24.856 8.118 -9.833 1.00 0.63 N ATOM 766 CA THR A 52 -25.335 6.740 -9.793 1.00 0.65 C ATOM 767 C THR A 52 -25.645 6.231 -8.375 1.00 0.55 C ATOM 768 O THR A 52 -26.251 5.168 -8.232 1.00 0.62 O ATOM 769 CB THR A 52 -24.306 5.802 -10.448 1.00 0.74 C ATOM 770 OG1 THR A 52 -22.997 6.082 -9.924 1.00 1.06 O ATOM 771 CG2 THR A 52 -24.300 5.974 -11.964 1.00 1.19 C ATOM 0 H THR A 52 -23.966 8.275 -9.360 1.00 0.63 H new ATOM 0 HA THR A 52 -26.274 6.736 -10.346 1.00 0.65 H new ATOM 0 HB THR A 52 -24.582 4.773 -10.220 1.00 0.74 H new ATOM 0 HG1 THR A 52 -22.703 6.965 -10.232 1.00 1.06 H new ATOM 0 HG21 THR A 52 -23.565 5.300 -12.404 1.00 1.19 H new ATOM 0 HG22 THR A 52 -25.288 5.741 -12.361 1.00 1.19 H new ATOM 0 HG23 THR A 52 -24.043 7.004 -12.212 1.00 1.19 H new ATOM 779 N LYS A 53 -25.240 6.983 -7.341 1.00 0.47 N ATOM 780 CA LYS A 53 -25.443 6.567 -5.931 1.00 0.46 C ATOM 781 C LYS A 53 -24.606 5.332 -5.592 1.00 0.39 C ATOM 782 O LYS A 53 -24.896 4.602 -4.640 1.00 0.49 O ATOM 783 CB LYS A 53 -26.923 6.291 -5.634 1.00 0.59 C ATOM 784 CG LYS A 53 -27.659 7.471 -5.019 1.00 0.81 C ATOM 785 CD LYS A 53 -27.575 8.722 -5.876 1.00 0.87 C ATOM 786 CE LYS A 53 -28.276 9.885 -5.204 1.00 1.57 C ATOM 787 NZ LYS A 53 -28.150 11.137 -5.986 1.00 2.08 N ATOM 0 H LYS A 53 -24.770 7.882 -7.447 1.00 0.47 H new ATOM 0 HA LYS A 53 -25.114 7.396 -5.304 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -27.422 6.007 -6.560 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.995 5.439 -4.959 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -28.706 7.205 -4.872 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -27.242 7.681 -4.034 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -26.530 8.976 -6.055 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -28.028 8.532 -6.849 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -29.331 9.645 -5.072 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -27.856 10.035 -4.209 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -27.551 11.811 -5.468 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -27.717 10.928 -6.908 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -29.093 11.552 -6.132 1.00 2.08 H new ATOM 801 N THR A 54 -23.547 5.131 -6.354 1.00 0.34 N ATOM 802 CA THR A 54 -22.654 4.000 -6.163 1.00 0.31 C ATOM 803 C THR A 54 -21.538 4.335 -5.165 1.00 0.28 C ATOM 804 O THR A 54 -20.808 5.313 -5.348 1.00 0.35 O ATOM 805 CB THR A 54 -22.006 3.600 -7.507 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.986 3.672 -8.551 1.00 0.51 O ATOM 807 CG2 THR A 54 -21.452 2.179 -7.455 1.00 0.41 C ATOM 0 H THR A 54 -23.280 5.746 -7.123 1.00 0.34 H new ATOM 0 HA THR A 54 -23.249 3.176 -5.771 1.00 0.31 H new ATOM 0 HB THR A 54 -21.185 4.290 -7.702 1.00 0.38 H new ATOM 0 HG1 THR A 54 -22.841 4.484 -9.081 1.00 0.51 H new ATOM 0 HG21 THR A 54 -21.003 1.928 -8.416 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.696 2.112 -6.673 1.00 0.41 H new ATOM 0 HG23 THR A 54 -22.261 1.481 -7.239 1.00 0.41 H new ATOM 815 N TYR A 55 -21.434 3.552 -4.096 1.00 0.21 N ATOM 816 CA TYR A 55 -20.344 3.705 -3.143 1.00 0.21 C ATOM 817 C TYR A 55 -19.317 2.611 -3.395 1.00 0.21 C ATOM 818 O TYR A 55 -19.670 1.468 -3.684 1.00 0.24 O ATOM 819 CB TYR A 55 -20.817 3.628 -1.675 1.00 0.24 C ATOM 820 CG TYR A 55 -21.439 4.889 -1.119 1.00 0.30 C ATOM 821 CD1 TYR A 55 -22.789 5.166 -1.297 1.00 1.14 C ATOM 822 CD2 TYR A 55 -20.678 5.787 -0.383 1.00 1.06 C ATOM 823 CE1 TYR A 55 -23.358 6.307 -0.761 1.00 1.19 C ATOM 824 CE2 TYR A 55 -21.239 6.929 0.153 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.577 7.185 -0.039 1.00 0.56 C ATOM 826 OH TYR A 55 -23.135 8.322 0.494 1.00 0.70 O ATOM 0 H TYR A 55 -22.092 2.806 -3.869 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.913 4.695 -3.291 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.542 2.819 -1.588 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -19.964 3.360 -1.051 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -23.403 4.480 -1.862 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -19.628 5.589 -0.227 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -24.409 6.509 -0.907 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -20.631 7.618 0.720 1.00 1.12 H new ATOM 0 HH TYR A 55 -22.448 8.830 0.973 1.00 0.70 H new ATOM 836 N THR A 56 -18.055 2.973 -3.359 1.00 0.24 N ATOM 837 CA THR A 56 -16.996 2.014 -3.582 1.00 0.29 C ATOM 838 C THR A 56 -15.973 2.076 -2.459 1.00 0.25 C ATOM 839 O THR A 56 -15.481 3.149 -2.117 1.00 0.28 O ATOM 840 CB THR A 56 -16.300 2.267 -4.936 1.00 0.38 C ATOM 841 OG1 THR A 56 -17.288 2.386 -5.968 1.00 0.96 O ATOM 842 CG2 THR A 56 -15.336 1.135 -5.281 1.00 0.74 C ATOM 0 H THR A 56 -17.736 3.925 -3.177 1.00 0.24 H new ATOM 0 HA THR A 56 -17.444 1.021 -3.600 1.00 0.29 H new ATOM 0 HB THR A 56 -15.728 3.192 -4.859 1.00 0.38 H new ATOM 0 HG1 THR A 56 -16.846 2.548 -6.827 1.00 0.96 H new ATOM 0 HG21 THR A 56 -14.861 1.341 -6.240 1.00 0.74 H new ATOM 0 HG22 THR A 56 -14.573 1.059 -4.507 1.00 0.74 H new ATOM 0 HG23 THR A 56 -15.885 0.196 -5.343 1.00 0.74 H new ATOM 850 N VAL A 57 -15.681 0.927 -1.869 1.00 0.24 N ATOM 851 CA VAL A 57 -14.679 0.854 -0.813 1.00 0.23 C ATOM 852 C VAL A 57 -13.452 0.132 -1.350 1.00 0.24 C ATOM 853 O VAL A 57 -13.536 -1.001 -1.832 1.00 0.30 O ATOM 854 CB VAL A 57 -15.200 0.186 0.509 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.635 -1.263 0.316 1.00 0.28 C ATOM 856 CG2 VAL A 57 -14.139 0.265 1.595 1.00 0.27 C ATOM 0 H VAL A 57 -16.120 0.036 -2.101 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.423 1.875 -0.530 1.00 0.23 H new ATOM 0 HB VAL A 57 -16.084 0.747 0.811 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -15.984 -1.668 1.266 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.442 -1.306 -0.416 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.790 -1.852 -0.040 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.515 -0.202 2.505 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -13.240 -0.256 1.264 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.900 1.310 1.795 1.00 0.27 H new ATOM 866 N THR A 58 -12.337 0.842 -1.381 1.00 0.26 N ATOM 867 CA THR A 58 -11.121 0.303 -1.949 1.00 0.30 C ATOM 868 C THR A 58 -10.120 -0.081 -0.867 1.00 0.32 C ATOM 869 O THR A 58 -9.778 0.732 -0.002 1.00 0.36 O ATOM 870 CB THR A 58 -10.483 1.326 -2.903 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.493 1.855 -3.768 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.387 0.686 -3.740 1.00 0.52 C ATOM 0 H THR A 58 -12.252 1.792 -1.019 1.00 0.26 H new ATOM 0 HA THR A 58 -11.386 -0.598 -2.502 1.00 0.30 H new ATOM 0 HB THR A 58 -10.038 2.124 -2.308 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.092 2.509 -4.377 1.00 0.41 H new ATOM 0 HG21 THR A 58 -8.954 1.433 -4.405 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.611 0.291 -3.084 1.00 0.52 H new ATOM 0 HG23 THR A 58 -9.809 -0.126 -4.332 1.00 0.52 H new ATOM 880 N GLU A 59 -9.694 -1.337 -0.901 1.00 0.35 N ATOM 881 CA GLU A 59 -8.701 -1.844 0.039 1.00 0.42 C ATOM 882 C GLU A 59 -7.314 -1.366 -0.429 1.00 0.53 C ATOM 883 O GLU A 59 -6.921 -1.644 -1.567 1.00 0.75 O ATOM 884 CB GLU A 59 -8.781 -3.388 0.078 1.00 0.44 C ATOM 885 CG GLU A 59 -8.125 -4.073 1.279 1.00 0.78 C ATOM 886 CD GLU A 59 -6.635 -3.830 1.393 1.00 1.79 C ATOM 887 OE1 GLU A 59 -5.863 -4.529 0.707 1.00 2.34 O ATOM 888 OE2 GLU A 59 -6.235 -2.930 2.160 1.00 2.56 O ATOM 0 H GLU A 59 -10.023 -2.028 -1.575 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.885 -1.472 1.047 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -9.832 -3.676 0.052 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -8.321 -3.777 -0.830 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -8.610 -3.725 2.191 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -8.303 -5.146 1.213 1.00 0.78 H new ATOM 1067 N LEU A 75 25.237 11.184 -1.918 1.00 21.47 N ATOM 1068 CA LEU A 75 25.976 12.287 -1.311 1.00 21.98 C ATOM 1069 C LEU A 75 25.058 13.486 -1.084 1.00 22.04 C ATOM 1070 O LEU A 75 24.221 13.785 -1.936 1.00 21.90 O ATOM 1071 CB LEU A 75 27.160 12.720 -2.191 1.00 22.62 C ATOM 1072 CG LEU A 75 28.349 11.757 -2.257 1.00 22.85 C ATOM 1073 CD1 LEU A 75 28.810 11.384 -0.859 1.00 22.94 C ATOM 1074 CD2 LEU A 75 28.006 10.521 -3.076 1.00 22.46 C ATOM 0 HA LEU A 75 26.360 11.932 -0.355 1.00 21.98 H new ATOM 0 HB2 LEU A 75 26.792 12.878 -3.205 1.00 22.62 H new ATOM 0 HB3 LEU A 75 27.520 13.683 -1.829 1.00 22.62 H new ATOM 0 HG LEU A 75 29.173 12.263 -2.759 1.00 22.85 H new ATOM 0 HD11 LEU A 75 29.655 10.699 -0.925 1.00 22.94 H new ATOM 0 HD12 LEU A 75 29.113 12.284 -0.324 1.00 22.94 H new ATOM 0 HD13 LEU A 75 27.993 10.901 -0.323 1.00 22.94 H new ATOM 0 HD21 LEU A 75 28.868 9.854 -3.107 1.00 22.46 H new ATOM 0 HD22 LEU A 75 27.163 10.004 -2.618 1.00 22.46 H new ATOM 0 HD23 LEU A 75 27.741 10.819 -4.091 1.00 22.46 H new ATOM 1086 N PRO A 76 25.136 14.157 0.087 1.00 22.33 N ATOM 1087 CA PRO A 76 24.340 15.365 0.343 1.00 22.55 C ATOM 1088 C PRO A 76 24.848 16.538 -0.497 1.00 23.16 C ATOM 1089 O PRO A 76 26.041 16.616 -0.797 1.00 23.54 O ATOM 1090 CB PRO A 76 24.569 15.659 1.849 1.00 22.90 C ATOM 1091 CG PRO A 76 25.169 14.410 2.401 1.00 22.69 C ATOM 1092 CD PRO A 76 25.971 13.817 1.254 1.00 22.58 C ATOM 0 HA PRO A 76 23.289 15.227 0.089 1.00 22.55 H new ATOM 0 HB2 PRO A 76 25.235 16.511 1.988 1.00 22.90 H new ATOM 0 HB3 PRO A 76 23.632 15.901 2.350 1.00 22.90 H new ATOM 0 HG2 PRO A 76 25.807 14.624 3.259 1.00 22.69 H new ATOM 0 HG3 PRO A 76 24.398 13.719 2.742 1.00 22.69 H new ATOM 0 HD2 PRO A 76 26.967 14.254 1.184 1.00 22.58 H new ATOM 0 HD3 PRO A 76 26.102 12.740 1.362 1.00 22.58 H new ATOM 1100 N PRO A 77 23.952 17.445 -0.918 1.00 23.33 N ATOM 1101 CA PRO A 77 24.327 18.630 -1.706 1.00 24.01 C ATOM 1102 C PRO A 77 25.506 19.369 -1.091 1.00 24.77 C ATOM 1103 O PRO A 77 25.494 19.706 0.095 1.00 25.03 O ATOM 1104 CB PRO A 77 23.057 19.482 -1.654 1.00 24.14 C ATOM 1105 CG PRO A 77 21.983 18.463 -1.611 1.00 23.57 C ATOM 1106 CD PRO A 77 22.498 17.380 -0.694 1.00 23.01 C ATOM 0 HA PRO A 77 24.649 18.383 -2.718 1.00 24.01 H new ATOM 0 HB2 PRO A 77 23.038 20.128 -0.776 1.00 24.14 H new ATOM 0 HB3 PRO A 77 22.967 20.129 -2.527 1.00 24.14 H new ATOM 0 HG2 PRO A 77 21.053 18.888 -1.234 1.00 23.57 H new ATOM 0 HG3 PRO A 77 21.774 18.070 -2.606 1.00 23.57 H new ATOM 0 HD2 PRO A 77 22.238 17.571 0.347 1.00 23.01 H new ATOM 0 HD3 PRO A 77 22.090 16.402 -0.950 1.00 23.01 H new ATOM 1114 N GLY A 78 26.526 19.601 -1.897 1.00 25.21 N ATOM 1115 CA GLY A 78 27.726 20.243 -1.394 1.00 26.01 C ATOM 1116 C GLY A 78 28.855 19.258 -1.094 1.00 25.92 C ATOM 1117 O GLY A 78 30.025 19.645 -1.076 1.00 26.59 O ATOM 0 H GLY A 78 26.549 19.359 -2.888 1.00 25.21 H new ATOM 0 HA2 GLY A 78 28.074 20.973 -2.125 1.00 26.01 H new ATOM 0 HA3 GLY A 78 27.482 20.794 -0.486 1.00 26.01 H new ATOM 1121 N TRP A 79 28.511 18.009 -0.788 1.00 25.19 N ATOM 1122 CA TRP A 79 29.532 16.977 -0.555 1.00 25.16 C ATOM 1123 C TRP A 79 29.874 16.292 -1.876 1.00 24.97 C ATOM 1124 O TRP A 79 28.978 15.989 -2.661 1.00 24.43 O ATOM 1125 CB TRP A 79 29.043 15.910 0.438 1.00 24.58 C ATOM 1126 CG TRP A 79 28.993 16.370 1.867 1.00 24.92 C ATOM 1127 CD1 TRP A 79 28.035 17.153 2.450 1.00 24.92 C ATOM 1128 CD2 TRP A 79 29.938 16.057 2.901 1.00 25.44 C ATOM 1129 NE1 TRP A 79 28.329 17.349 3.778 1.00 25.41 N ATOM 1130 CE2 TRP A 79 29.494 16.689 4.079 1.00 25.73 C ATOM 1131 CE3 TRP A 79 31.125 15.306 2.944 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 30.191 16.594 5.283 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 31.811 15.213 4.140 1.00 26.34 C ATOM 1134 CH2 TRP A 79 31.344 15.850 5.295 1.00 26.61 C ATOM 0 H TRP A 79 27.548 17.685 -0.695 1.00 25.19 H new ATOM 0 HA TRP A 79 30.410 17.468 -0.134 1.00 25.16 H new ATOM 0 HB2 TRP A 79 28.047 15.582 0.139 1.00 24.58 H new ATOM 0 HB3 TRP A 79 29.698 15.041 0.371 1.00 24.58 H new ATOM 0 HD1 TRP A 79 27.173 17.558 1.941 1.00 24.92 H new ATOM 0 HE1 TRP A 79 27.772 17.896 4.434 1.00 25.41 H new ATOM 0 HE3 TRP A 79 31.494 14.810 2.058 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 29.836 17.089 6.175 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 32.724 14.638 4.184 1.00 26.34 H new ATOM 0 HH2 TRP A 79 31.902 15.754 6.215 1.00 26.61 H new ATOM 1145 N GLU A 80 31.156 16.043 -2.128 1.00 25.51 N ATOM 1146 CA GLU A 80 31.564 15.358 -3.343 1.00 25.50 C ATOM 1147 C GLU A 80 32.367 14.113 -3.021 1.00 25.52 C ATOM 1148 O GLU A 80 33.167 14.093 -2.081 1.00 25.91 O ATOM 1149 CB GLU A 80 32.372 16.286 -4.247 1.00 26.28 C ATOM 1150 CG GLU A 80 31.553 16.921 -5.357 1.00 26.33 C ATOM 1151 CD GLU A 80 30.954 15.884 -6.285 1.00 26.69 C ATOM 1152 OE1 GLU A 80 31.721 15.257 -7.047 1.00 26.95 O ATOM 1153 OE2 GLU A 80 29.721 15.685 -6.248 1.00 26.80 O ATOM 0 H GLU A 80 31.923 16.305 -1.509 1.00 25.51 H new ATOM 0 HA GLU A 80 30.660 15.058 -3.873 1.00 25.50 H new ATOM 0 HB2 GLU A 80 32.817 17.074 -3.639 1.00 26.28 H new ATOM 0 HB3 GLU A 80 33.193 15.723 -4.690 1.00 26.28 H new ATOM 0 HG2 GLU A 80 30.755 17.521 -4.921 1.00 26.33 H new ATOM 0 HG3 GLU A 80 32.184 17.599 -5.931 1.00 26.33 H new ATOM 1160 N MET A 81 32.157 13.086 -3.826 1.00 25.18 N ATOM 1161 CA MET A 81 32.840 11.820 -3.655 1.00 25.27 C ATOM 1162 C MET A 81 33.766 11.599 -4.840 1.00 25.77 C ATOM 1163 O MET A 81 33.303 11.442 -5.970 1.00 25.60 O ATOM 1164 CB MET A 81 31.833 10.668 -3.554 1.00 24.50 C ATOM 1165 CG MET A 81 32.486 9.311 -3.355 1.00 24.68 C ATOM 1166 SD MET A 81 31.298 7.953 -3.320 1.00 24.52 S ATOM 1167 CE MET A 81 30.567 8.096 -4.950 1.00 24.27 C ATOM 0 H MET A 81 31.510 13.108 -4.614 1.00 25.18 H new ATOM 0 HA MET A 81 33.417 11.845 -2.731 1.00 25.27 H new ATOM 0 HB2 MET A 81 31.154 10.861 -2.724 1.00 24.50 H new ATOM 0 HB3 MET A 81 31.229 10.643 -4.461 1.00 24.50 H new ATOM 0 HG2 MET A 81 33.203 9.138 -4.158 1.00 24.68 H new ATOM 0 HG3 MET A 81 33.048 9.318 -2.421 1.00 24.68 H new ATOM 0 HE1 MET A 81 30.108 7.147 -5.227 1.00 24.27 H new ATOM 0 HE2 MET A 81 29.808 8.878 -4.941 1.00 24.27 H new ATOM 0 HE3 MET A 81 31.341 8.350 -5.675 1.00 24.27 H new ATOM 1177 N LYS A 82 35.069 11.622 -4.609 1.00 26.46 N ATOM 1178 CA LYS A 82 36.009 11.483 -5.707 1.00 27.08 C ATOM 1179 C LYS A 82 37.145 10.541 -5.311 1.00 27.55 C ATOM 1180 O LYS A 82 37.416 10.345 -4.125 1.00 27.58 O ATOM 1181 CB LYS A 82 36.563 12.859 -6.129 1.00 27.79 C ATOM 1182 CG LYS A 82 35.515 13.963 -6.218 1.00 27.45 C ATOM 1183 CD LYS A 82 36.125 15.245 -6.762 1.00 28.23 C ATOM 1184 CE LYS A 82 35.108 16.374 -6.851 1.00 28.14 C ATOM 1185 NZ LYS A 82 34.071 16.123 -7.888 1.00 28.22 N ATOM 0 H LYS A 82 35.493 11.734 -3.688 1.00 26.46 H new ATOM 0 HA LYS A 82 35.484 11.055 -6.561 1.00 27.08 H new ATOM 0 HB2 LYS A 82 37.331 13.161 -5.417 1.00 27.79 H new ATOM 0 HB3 LYS A 82 37.050 12.759 -7.099 1.00 27.79 H new ATOM 0 HG2 LYS A 82 34.697 13.642 -6.863 1.00 27.45 H new ATOM 0 HG3 LYS A 82 35.090 14.147 -5.231 1.00 27.45 H new ATOM 0 HD2 LYS A 82 36.951 15.553 -6.121 1.00 28.23 H new ATOM 0 HD3 LYS A 82 36.542 15.056 -7.751 1.00 28.23 H new ATOM 0 HE2 LYS A 82 34.625 16.502 -5.882 1.00 28.14 H new ATOM 0 HE3 LYS A 82 35.624 17.307 -7.076 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 33.678 17.030 -8.213 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 34.499 15.623 -8.693 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 33.310 15.541 -7.484 1.00 28.22 H new ATOM 1199 N TYR A 83 37.776 9.924 -6.299 1.00 27.96 N ATOM 1200 CA TYR A 83 38.846 8.972 -6.039 1.00 28.50 C ATOM 1201 C TYR A 83 40.120 9.416 -6.736 1.00 29.50 C ATOM 1202 O TYR A 83 40.067 10.138 -7.731 1.00 29.77 O ATOM 1203 CB TYR A 83 38.452 7.573 -6.559 1.00 28.32 C ATOM 1204 CG TYR A 83 37.098 7.087 -6.074 1.00 27.47 C ATOM 1205 CD1 TYR A 83 36.966 6.404 -4.873 1.00 27.19 C ATOM 1206 CD2 TYR A 83 35.948 7.309 -6.830 1.00 27.03 C ATOM 1207 CE1 TYR A 83 35.729 5.957 -4.438 1.00 26.48 C ATOM 1208 CE2 TYR A 83 34.711 6.866 -6.400 1.00 26.32 C ATOM 1209 CZ TYR A 83 34.606 6.191 -5.206 1.00 26.04 C ATOM 1210 OH TYR A 83 33.374 5.750 -4.776 1.00 25.39 O ATOM 0 H TYR A 83 37.566 10.065 -7.287 1.00 27.96 H new ATOM 0 HA TYR A 83 39.013 8.928 -4.963 1.00 28.50 H new ATOM 0 HB2 TYR A 83 38.450 7.590 -7.649 1.00 28.32 H new ATOM 0 HB3 TYR A 83 39.214 6.856 -6.253 1.00 28.32 H new ATOM 0 HD1 TYR A 83 37.841 6.218 -4.268 1.00 27.19 H new ATOM 0 HD2 TYR A 83 36.025 7.837 -7.769 1.00 27.03 H new ATOM 0 HE1 TYR A 83 35.643 5.427 -3.501 1.00 26.48 H new ATOM 0 HE2 TYR A 83 33.831 7.049 -6.999 1.00 26.32 H new ATOM 0 HH TYR A 83 32.828 6.518 -4.507 1.00 25.39 H new ATOM 1220 N THR A 84 41.262 9.027 -6.194 1.00 30.09 N ATOM 1221 CA THR A 84 42.525 9.298 -6.850 1.00 31.09 C ATOM 1222 C THR A 84 42.809 8.163 -7.838 1.00 31.47 C ATOM 1223 O THR A 84 42.123 7.139 -7.820 1.00 30.98 O ATOM 1224 CB THR A 84 43.694 9.439 -5.840 1.00 31.69 C ATOM 1225 OG1 THR A 84 44.029 8.162 -5.279 1.00 31.75 O ATOM 1226 CG2 THR A 84 43.332 10.401 -4.716 1.00 31.35 C ATOM 0 H THR A 84 41.338 8.527 -5.308 1.00 30.09 H new ATOM 0 HA THR A 84 42.448 10.252 -7.372 1.00 31.09 H new ATOM 0 HB THR A 84 44.553 9.835 -6.382 1.00 31.69 H new ATOM 0 HG1 THR A 84 44.924 8.204 -4.881 1.00 31.75 H new ATOM 0 HG21 THR A 84 44.169 10.481 -4.022 1.00 31.35 H new ATOM 0 HG22 THR A 84 43.112 11.383 -5.134 1.00 31.35 H new ATOM 0 HG23 THR A 84 42.456 10.028 -4.186 1.00 31.35 H new ATOM 1234 N SER A 85 43.841 8.304 -8.648 1.00 32.40 N ATOM 1235 CA SER A 85 44.150 7.302 -9.661 1.00 32.91 C ATOM 1236 C SER A 85 44.886 6.094 -9.067 1.00 33.07 C ATOM 1237 O SER A 85 45.425 5.260 -9.792 1.00 33.44 O ATOM 1238 CB SER A 85 44.965 7.941 -10.765 1.00 33.91 C ATOM 1239 OG SER A 85 44.376 9.161 -11.188 1.00 34.32 O ATOM 0 H SER A 85 44.480 9.099 -8.628 1.00 32.40 H new ATOM 0 HA SER A 85 43.212 6.927 -10.071 1.00 32.91 H new ATOM 0 HB2 SER A 85 45.980 8.125 -10.413 1.00 33.91 H new ATOM 0 HB3 SER A 85 45.040 7.257 -11.610 1.00 33.91 H new ATOM 0 HG SER A 85 44.920 9.557 -11.900 1.00 34.32 H new ATOM 1245 N GLU A 86 44.839 5.971 -7.747 1.00 32.82 N ATOM 1246 CA GLU A 86 45.516 4.879 -7.043 1.00 33.03 C ATOM 1247 C GLU A 86 44.520 4.079 -6.214 1.00 32.13 C ATOM 1248 O GLU A 86 44.886 3.121 -5.537 1.00 32.23 O ATOM 1249 CB GLU A 86 46.601 5.456 -6.131 1.00 33.61 C ATOM 1250 CG GLU A 86 47.675 6.230 -6.874 1.00 34.45 C ATOM 1251 CD GLU A 86 48.611 6.960 -5.938 1.00 34.93 C ATOM 1252 OE1 GLU A 86 49.719 6.445 -5.687 1.00 34.87 O ATOM 1253 OE2 GLU A 86 48.238 8.041 -5.434 1.00 35.43 O ATOM 0 H GLU A 86 44.338 6.615 -7.136 1.00 32.82 H new ATOM 0 HA GLU A 86 45.969 4.214 -7.778 1.00 33.03 H new ATOM 0 HB2 GLU A 86 46.135 6.113 -5.397 1.00 33.61 H new ATOM 0 HB3 GLU A 86 47.069 4.642 -5.578 1.00 33.61 H new ATOM 0 HG2 GLU A 86 48.250 5.543 -7.495 1.00 34.45 H new ATOM 0 HG3 GLU A 86 47.203 6.948 -7.545 1.00 34.45 H new ATOM 1260 N GLY A 87 43.258 4.485 -6.264 1.00 31.30 N ATOM 1261 CA GLY A 87 42.240 3.818 -5.481 1.00 30.42 C ATOM 1262 C GLY A 87 42.040 4.455 -4.117 1.00 30.02 C ATOM 1263 O GLY A 87 41.384 3.882 -3.240 1.00 29.44 O ATOM 0 H GLY A 87 42.923 5.263 -6.832 1.00 31.30 H new ATOM 0 HA2 GLY A 87 41.297 3.836 -6.028 1.00 30.42 H new ATOM 0 HA3 GLY A 87 42.514 2.771 -5.352 1.00 30.42 H new ATOM 1267 N VAL A 88 42.612 5.636 -3.922 1.00 30.40 N ATOM 1268 CA VAL A 88 42.469 6.349 -2.664 1.00 30.17 C ATOM 1269 C VAL A 88 41.230 7.238 -2.715 1.00 29.38 C ATOM 1270 O VAL A 88 41.042 8.002 -3.658 1.00 29.40 O ATOM 1271 CB VAL A 88 43.724 7.192 -2.349 1.00 31.05 C ATOM 1272 CG1 VAL A 88 43.563 7.937 -1.034 1.00 30.89 C ATOM 1273 CG2 VAL A 88 44.968 6.313 -2.317 1.00 31.86 C ATOM 0 H VAL A 88 43.179 6.118 -4.620 1.00 30.40 H new ATOM 0 HA VAL A 88 42.355 5.616 -1.865 1.00 30.17 H new ATOM 0 HB VAL A 88 43.843 7.929 -3.143 1.00 31.05 H new ATOM 0 HG11 VAL A 88 44.460 8.523 -0.836 1.00 30.89 H new ATOM 0 HG12 VAL A 88 42.702 8.602 -1.096 1.00 30.89 H new ATOM 0 HG13 VAL A 88 43.411 7.221 -0.226 1.00 30.89 H new ATOM 0 HG21 VAL A 88 45.841 6.926 -2.094 1.00 31.86 H new ATOM 0 HG22 VAL A 88 44.854 5.549 -1.548 1.00 31.86 H new ATOM 0 HG23 VAL A 88 45.100 5.834 -3.287 1.00 31.86 H new ATOM 1283 N ARG A 89 40.363 7.081 -1.731 1.00 28.74 N ATOM 1284 CA ARG A 89 39.099 7.804 -1.683 1.00 27.99 C ATOM 1285 C ARG A 89 39.220 9.073 -0.844 1.00 28.23 C ATOM 1286 O ARG A 89 39.582 9.006 0.328 1.00 28.54 O ATOM 1287 CB ARG A 89 38.031 6.889 -1.075 1.00 27.21 C ATOM 1288 CG ARG A 89 36.599 7.329 -1.324 1.00 26.48 C ATOM 1289 CD ARG A 89 35.608 6.375 -0.665 1.00 25.83 C ATOM 1290 NE ARG A 89 34.357 6.269 -1.419 1.00 25.29 N ATOM 1291 CZ ARG A 89 33.343 5.462 -1.087 1.00 24.70 C ATOM 1292 NH1 ARG A 89 33.378 4.768 0.046 1.00 24.55 N ATOM 1293 NH2 ARG A 89 32.281 5.363 -1.884 1.00 24.34 N ATOM 0 H ARG A 89 40.512 6.451 -0.943 1.00 28.74 H new ATOM 0 HA ARG A 89 38.822 8.094 -2.696 1.00 27.99 H new ATOM 0 HB2 ARG A 89 38.162 5.884 -1.476 1.00 27.21 H new ATOM 0 HB3 ARG A 89 38.195 6.827 0.001 1.00 27.21 H new ATOM 0 HG2 ARG A 89 36.452 8.336 -0.935 1.00 26.48 H new ATOM 0 HG3 ARG A 89 36.410 7.371 -2.397 1.00 26.48 H new ATOM 0 HD2 ARG A 89 36.061 5.388 -0.576 1.00 25.83 H new ATOM 0 HD3 ARG A 89 35.393 6.719 0.346 1.00 25.83 H new ATOM 0 HE ARG A 89 34.252 6.848 -2.252 1.00 25.29 H new ATOM 0 HH11 ARG A 89 34.182 4.849 0.669 1.00 24.55 H new ATOM 0 HH12 ARG A 89 32.601 4.155 0.293 1.00 24.55 H new ATOM 0 HH21 ARG A 89 32.240 5.903 -2.749 1.00 24.34 H new ATOM 0 HH22 ARG A 89 31.508 4.747 -1.630 1.00 24.34 H new ATOM 1307 N TYR A 90 38.925 10.227 -1.438 1.00 28.18 N ATOM 1308 CA TYR A 90 38.957 11.477 -0.692 1.00 28.46 C ATOM 1309 C TYR A 90 37.625 12.206 -0.856 1.00 27.80 C ATOM 1310 O TYR A 90 36.941 12.031 -1.865 1.00 27.31 O ATOM 1311 CB TYR A 90 40.134 12.382 -1.104 1.00 29.43 C ATOM 1312 CG TYR A 90 40.081 12.986 -2.493 1.00 29.57 C ATOM 1313 CD1 TYR A 90 40.385 12.214 -3.606 1.00 29.65 C ATOM 1314 CD2 TYR A 90 39.681 14.303 -2.697 1.00 29.70 C ATOM 1315 CE1 TYR A 90 40.295 12.731 -4.883 1.00 29.86 C ATOM 1316 CE2 TYR A 90 39.596 14.833 -3.973 1.00 29.91 C ATOM 1317 CZ TYR A 90 40.064 14.149 -5.022 1.00 30.05 C ATOM 1318 OH TYR A 90 39.804 14.557 -6.337 1.00 30.27 O ATOM 0 H TYR A 90 38.665 10.320 -2.420 1.00 28.18 H new ATOM 0 HA TYR A 90 39.111 11.233 0.359 1.00 28.46 H new ATOM 0 HB2 TYR A 90 40.205 13.196 -0.383 1.00 29.43 H new ATOM 0 HB3 TYR A 90 41.053 11.802 -1.021 1.00 29.43 H new ATOM 0 HD1 TYR A 90 40.698 11.189 -3.470 1.00 29.65 H new ATOM 0 HD2 TYR A 90 39.433 14.921 -1.847 1.00 29.70 H new ATOM 0 HE1 TYR A 90 40.394 12.095 -5.750 1.00 29.86 H new ATOM 0 HE2 TYR A 90 39.149 15.805 -4.122 1.00 29.91 H new ATOM 0 HH TYR A 90 39.657 15.526 -6.356 1.00 30.27 H new ATOM 1328 N PHE A 91 37.237 12.996 0.136 1.00 27.84 N ATOM 1329 CA PHE A 91 35.974 13.713 0.074 1.00 27.29 C ATOM 1330 C PHE A 91 36.229 15.208 0.107 1.00 27.91 C ATOM 1331 O PHE A 91 37.184 15.675 0.735 1.00 28.69 O ATOM 1332 CB PHE A 91 35.033 13.310 1.218 1.00 26.81 C ATOM 1333 CG PHE A 91 34.398 11.948 1.047 1.00 26.08 C ATOM 1334 CD1 PHE A 91 33.047 11.846 0.743 1.00 25.34 C ATOM 1335 CD2 PHE A 91 35.135 10.777 1.185 1.00 26.22 C ATOM 1336 CE1 PHE A 91 32.450 10.611 0.577 1.00 24.76 C ATOM 1337 CE2 PHE A 91 34.538 9.542 1.020 1.00 25.66 C ATOM 1338 CZ PHE A 91 33.197 9.459 0.718 1.00 24.89 C ATOM 0 H PHE A 91 37.776 13.155 0.987 1.00 27.84 H new ATOM 0 HA PHE A 91 35.484 13.447 -0.862 1.00 27.29 H new ATOM 0 HB2 PHE A 91 35.591 13.324 2.154 1.00 26.81 H new ATOM 0 HB3 PHE A 91 34.245 14.058 1.306 1.00 26.81 H new ATOM 0 HD1 PHE A 91 32.455 12.743 0.635 1.00 25.34 H new ATOM 0 HD2 PHE A 91 36.187 10.834 1.424 1.00 26.22 H new ATOM 0 HE1 PHE A 91 31.399 10.547 0.337 1.00 24.76 H new ATOM 0 HE2 PHE A 91 35.124 8.641 1.128 1.00 25.66 H new ATOM 0 HZ PHE A 91 32.730 8.493 0.592 1.00 24.89 H new ATOM 1348 N VAL A 92 35.397 15.951 -0.599 1.00 27.61 N ATOM 1349 CA VAL A 92 35.556 17.392 -0.692 1.00 28.23 C ATOM 1350 C VAL A 92 34.400 18.121 -0.013 1.00 27.94 C ATOM 1351 O VAL A 92 33.259 18.061 -0.481 1.00 27.26 O ATOM 1352 CB VAL A 92 35.631 17.859 -2.165 1.00 28.37 C ATOM 1353 CG1 VAL A 92 35.884 19.357 -2.250 1.00 29.13 C ATOM 1354 CG2 VAL A 92 36.702 17.090 -2.925 1.00 28.67 C ATOM 0 H VAL A 92 34.601 15.580 -1.118 1.00 27.61 H new ATOM 0 HA VAL A 92 36.491 17.634 -0.186 1.00 28.23 H new ATOM 0 HB VAL A 92 34.668 17.651 -2.630 1.00 28.37 H new ATOM 0 HG11 VAL A 92 35.932 19.659 -3.296 1.00 29.13 H new ATOM 0 HG12 VAL A 92 35.073 19.892 -1.755 1.00 29.13 H new ATOM 0 HG13 VAL A 92 36.828 19.595 -1.760 1.00 29.13 H new ATOM 0 HG21 VAL A 92 36.735 17.437 -3.958 1.00 28.67 H new ATOM 0 HG22 VAL A 92 37.672 17.256 -2.455 1.00 28.67 H new ATOM 0 HG23 VAL A 92 36.468 16.026 -2.907 1.00 28.67 H new ATOM 1364 N ASP A 93 34.694 18.798 1.090 1.00 28.50 N ATOM 1365 CA ASP A 93 33.690 19.618 1.767 1.00 28.42 C ATOM 1366 C ASP A 93 33.577 20.949 1.038 1.00 28.86 C ATOM 1367 O ASP A 93 34.339 21.870 1.313 1.00 29.70 O ATOM 1368 CB ASP A 93 34.063 19.882 3.239 1.00 29.01 C ATOM 1369 CG ASP A 93 33.503 18.842 4.180 1.00 28.68 C ATOM 1370 OD1 ASP A 93 32.314 18.938 4.553 1.00 28.33 O ATOM 1371 OD2 ASP A 93 34.255 17.908 4.533 1.00 28.82 O ATOM 0 H ASP A 93 35.612 18.798 1.534 1.00 28.50 H new ATOM 0 HA ASP A 93 32.742 19.080 1.753 1.00 28.42 H new ATOM 0 HB2 ASP A 93 35.148 19.906 3.335 1.00 29.01 H new ATOM 0 HB3 ASP A 93 33.695 20.866 3.531 1.00 29.01 H new ATOM 1376 N HIS A 94 32.681 21.048 0.056 1.00 28.36 N ATOM 1377 CA HIS A 94 32.572 22.281 -0.722 1.00 28.81 C ATOM 1378 C HIS A 94 31.867 23.374 0.080 1.00 29.31 C ATOM 1379 O HIS A 94 31.784 24.519 -0.357 1.00 29.90 O ATOM 1380 CB HIS A 94 31.853 22.024 -2.054 1.00 28.18 C ATOM 1381 CG HIS A 94 32.058 23.101 -3.085 1.00 28.49 C ATOM 1382 ND1 HIS A 94 31.285 23.213 -4.219 1.00 28.32 N ATOM 1383 CD2 HIS A 94 32.976 24.096 -3.165 1.00 29.05 C ATOM 1384 CE1 HIS A 94 31.708 24.233 -4.943 1.00 28.75 C ATOM 1385 NE2 HIS A 94 32.733 24.785 -4.323 1.00 29.20 N ATOM 0 H HIS A 94 32.034 20.308 -0.215 1.00 28.36 H new ATOM 0 HA HIS A 94 33.580 22.629 -0.945 1.00 28.81 H new ATOM 0 HB2 HIS A 94 32.199 21.075 -2.463 1.00 28.18 H new ATOM 0 HB3 HIS A 94 30.785 21.919 -1.863 1.00 28.18 H new ATOM 0 HD2 HIS A 94 33.755 24.306 -2.447 1.00 29.05 H new ATOM 0 HE1 HIS A 94 31.287 24.559 -5.882 1.00 28.75 H new ATOM 0 HE2 HIS A 94 33.259 25.594 -4.653 1.00 29.20 H new ATOM 1394 N ASN A 95 31.406 23.025 1.271 1.00 29.17 N ATOM 1395 CA ASN A 95 30.752 23.989 2.149 1.00 29.71 C ATOM 1396 C ASN A 95 31.781 24.943 2.757 1.00 30.73 C ATOM 1397 O ASN A 95 31.637 26.167 2.681 1.00 31.42 O ATOM 1398 CB ASN A 95 29.952 23.263 3.253 1.00 29.28 C ATOM 1399 CG ASN A 95 30.789 22.284 4.070 1.00 29.19 C ATOM 1400 OD1 ASN A 95 31.400 22.656 5.068 1.00 29.80 O ATOM 1401 ND2 ASN A 95 30.806 21.022 3.661 1.00 28.49 N ATOM 0 H ASN A 95 31.472 22.082 1.654 1.00 29.17 H new ATOM 0 HA ASN A 95 30.052 24.578 1.556 1.00 29.71 H new ATOM 0 HB2 ASN A 95 29.518 24.005 3.924 1.00 29.28 H new ATOM 0 HB3 ASN A 95 29.123 22.724 2.795 1.00 29.28 H new ATOM 0 HD21 ASN A 95 31.339 20.325 4.181 1.00 28.49 H new ATOM 0 HD22 ASN A 95 30.286 20.749 2.827 1.00 28.49 H new ATOM 1408 N THR A 96 32.851 24.377 3.293 1.00 30.87 N ATOM 1409 CA THR A 96 33.915 25.158 3.903 1.00 31.86 C ATOM 1410 C THR A 96 35.136 25.224 2.992 1.00 32.23 C ATOM 1411 O THR A 96 36.084 25.963 3.259 1.00 33.14 O ATOM 1412 CB THR A 96 34.317 24.555 5.259 1.00 31.96 C ATOM 1413 OG1 THR A 96 34.216 23.121 5.200 1.00 31.19 O ATOM 1414 CG2 THR A 96 33.437 25.096 6.379 1.00 32.02 C ATOM 0 H THR A 96 33.006 23.369 3.317 1.00 30.87 H new ATOM 0 HA THR A 96 33.538 26.169 4.057 1.00 31.86 H new ATOM 0 HB THR A 96 35.348 24.838 5.472 1.00 31.96 H new ATOM 0 HG1 THR A 96 33.272 22.859 5.218 1.00 31.19 H new ATOM 0 HG21 THR A 96 33.742 24.654 7.327 1.00 32.02 H new ATOM 0 HG22 THR A 96 33.542 26.180 6.433 1.00 32.02 H new ATOM 0 HG23 THR A 96 32.396 24.842 6.179 1.00 32.02 H new ATOM 1422 N ARG A 97 35.079 24.453 1.905 1.00 31.56 N ATOM 1423 CA ARG A 97 36.167 24.372 0.928 1.00 31.87 C ATOM 1424 C ARG A 97 37.417 23.752 1.540 1.00 32.27 C ATOM 1425 O ARG A 97 38.360 24.438 1.927 1.00 33.03 O ATOM 1426 CB ARG A 97 36.465 25.732 0.305 1.00 32.70 C ATOM 1427 CG ARG A 97 35.546 26.044 -0.858 1.00 32.43 C ATOM 1428 CD ARG A 97 35.854 27.398 -1.472 1.00 33.36 C ATOM 1429 NE ARG A 97 35.466 28.498 -0.592 1.00 33.97 N ATOM 1430 CZ ARG A 97 36.103 29.662 -0.538 1.00 34.73 C ATOM 1431 NH1 ARG A 97 37.211 29.848 -1.246 1.00 35.00 N ATOM 1432 NH2 ARG A 97 35.656 30.632 0.252 1.00 35.29 N ATOM 0 H ARG A 97 34.276 23.866 1.677 1.00 31.56 H new ATOM 0 HA ARG A 97 35.835 23.715 0.124 1.00 31.87 H new ATOM 0 HB2 ARG A 97 36.363 26.507 1.064 1.00 32.70 H new ATOM 0 HB3 ARG A 97 37.500 25.754 -0.036 1.00 32.70 H new ATOM 0 HG2 ARG A 97 35.646 25.269 -1.618 1.00 32.43 H new ATOM 0 HG3 ARG A 97 34.511 26.026 -0.518 1.00 32.43 H new ATOM 0 HD2 ARG A 97 36.920 27.465 -1.687 1.00 33.36 H new ATOM 0 HD3 ARG A 97 35.330 27.492 -2.423 1.00 33.36 H new ATOM 0 HE ARG A 97 34.658 28.364 0.017 1.00 33.97 H new ATOM 0 HH11 ARG A 97 37.574 29.096 -1.832 1.00 35.00 H new ATOM 0 HH12 ARG A 97 37.699 30.743 -1.204 1.00 35.00 H new ATOM 0 HH21 ARG A 97 34.821 30.484 0.819 1.00 35.29 H new ATOM 0 HH22 ARG A 97 36.147 31.525 0.291 1.00 35.29 H new ATOM 1446 N THR A 98 37.376 22.439 1.666 1.00 31.75 N ATOM 1447 CA THR A 98 38.475 21.680 2.244 1.00 32.09 C ATOM 1448 C THR A 98 38.389 20.227 1.785 1.00 31.35 C ATOM 1449 O THR A 98 37.411 19.836 1.138 1.00 30.48 O ATOM 1450 CB THR A 98 38.447 21.750 3.794 1.00 32.35 C ATOM 1451 OG1 THR A 98 39.658 21.202 4.331 1.00 32.15 O ATOM 1452 CG2 THR A 98 37.246 20.993 4.366 1.00 32.59 C ATOM 0 H THR A 98 36.584 21.868 1.372 1.00 31.75 H new ATOM 0 HA THR A 98 39.414 22.116 1.903 1.00 32.09 H new ATOM 0 HB THR A 98 38.358 22.798 4.079 1.00 32.35 H new ATOM 0 HG1 THR A 98 39.634 21.251 5.309 1.00 32.15 H new ATOM 0 HG21 THR A 98 37.257 21.062 5.454 1.00 32.59 H new ATOM 0 HG22 THR A 98 36.324 21.431 3.984 1.00 32.59 H new ATOM 0 HG23 THR A 98 37.301 19.946 4.068 1.00 32.59 H new ATOM 1460 N THR A 99 39.410 19.443 2.085 1.00 31.74 N ATOM 1461 CA THR A 99 39.431 18.037 1.703 1.00 31.18 C ATOM 1462 C THR A 99 39.613 17.164 2.944 1.00 31.15 C ATOM 1463 O THR A 99 40.353 17.532 3.858 1.00 31.92 O ATOM 1464 CB THR A 99 40.584 17.749 0.706 1.00 31.73 C ATOM 1465 OG1 THR A 99 41.802 18.309 1.217 1.00 32.77 O ATOM 1466 CG2 THR A 99 40.292 18.338 -0.687 1.00 31.59 C ATOM 0 H THR A 99 40.238 19.755 2.593 1.00 31.74 H new ATOM 0 HA THR A 99 38.482 17.804 1.220 1.00 31.18 H new ATOM 0 HB THR A 99 40.679 16.668 0.599 1.00 31.73 H new ATOM 0 HG1 THR A 99 42.534 18.128 0.591 1.00 32.77 H new ATOM 0 HG21 THR A 99 41.122 18.116 -1.357 1.00 31.59 H new ATOM 0 HG22 THR A 99 39.377 17.898 -1.084 1.00 31.59 H new ATOM 0 HG23 THR A 99 40.170 19.418 -0.607 1.00 31.59 H new ATOM 1474 N THR A 100 38.963 16.006 2.980 1.00 30.32 N ATOM 1475 CA THR A 100 39.069 15.127 4.129 1.00 30.31 C ATOM 1476 C THR A 100 38.976 13.666 3.693 1.00 29.79 C ATOM 1477 O THR A 100 38.474 13.364 2.607 1.00 29.19 O ATOM 1478 CB THR A 100 37.969 15.437 5.180 1.00 29.94 C ATOM 1479 OG1 THR A 100 38.149 14.626 6.349 1.00 30.23 O ATOM 1480 CG2 THR A 100 36.572 15.202 4.608 1.00 28.90 C ATOM 0 H THR A 100 38.363 15.660 2.231 1.00 30.32 H new ATOM 0 HA THR A 100 40.041 15.301 4.591 1.00 30.31 H new ATOM 0 HB THR A 100 38.061 16.489 5.450 1.00 29.94 H new ATOM 0 HG1 THR A 100 37.449 14.834 7.003 1.00 30.23 H new ATOM 0 HG21 THR A 100 35.825 15.428 5.369 1.00 28.90 H new ATOM 0 HG22 THR A 100 36.419 15.850 3.745 1.00 28.90 H new ATOM 0 HG23 THR A 100 36.475 14.160 4.302 1.00 28.90 H new ATOM 1488 N PHE A 101 39.518 12.776 4.513 1.00 30.11 N ATOM 1489 CA PHE A 101 39.471 11.352 4.231 1.00 29.74 C ATOM 1490 C PHE A 101 38.625 10.658 5.285 1.00 29.28 C ATOM 1491 O PHE A 101 39.091 10.409 6.398 1.00 29.75 O ATOM 1492 CB PHE A 101 40.883 10.756 4.239 1.00 30.55 C ATOM 1493 CG PHE A 101 41.718 11.135 3.048 1.00 30.86 C ATOM 1494 CD1 PHE A 101 42.024 10.189 2.088 1.00 30.67 C ATOM 1495 CD2 PHE A 101 42.189 12.428 2.886 1.00 31.41 C ATOM 1496 CE1 PHE A 101 42.784 10.522 0.986 1.00 31.03 C ATOM 1497 CE2 PHE A 101 42.951 12.768 1.784 1.00 31.76 C ATOM 1498 CZ PHE A 101 43.248 11.813 0.832 1.00 31.57 C ATOM 0 H PHE A 101 39.996 13.018 5.381 1.00 30.11 H new ATOM 0 HA PHE A 101 39.033 11.203 3.244 1.00 29.74 H new ATOM 0 HB2 PHE A 101 41.396 11.078 5.145 1.00 30.55 H new ATOM 0 HB3 PHE A 101 40.807 9.670 4.284 1.00 30.55 H new ATOM 0 HD1 PHE A 101 41.664 9.177 2.202 1.00 30.67 H new ATOM 0 HD2 PHE A 101 41.958 13.178 3.628 1.00 31.41 H new ATOM 0 HE1 PHE A 101 43.016 9.773 0.244 1.00 31.03 H new ATOM 0 HE2 PHE A 101 43.313 13.779 1.668 1.00 31.76 H new ATOM 0 HZ PHE A 101 43.842 12.075 -0.031 1.00 31.57 H new