USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 788 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 Single : A 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -2.19! C(o=-2.2!,f=-2.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -160:sc= -0.655 USER MOD Single : A 26 SER OG : rot -23:sc= 0.343 USER MOD Single : A 31 HIS : no HD1:sc= -7.66! C(o=-7.7!,f=-8.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.0064) USER MOD Single : A 38 MET CE :methyl 152:sc= -2.36 (180deg=-4.48!) USER MOD Single : A 45 HIS : no HD1:sc= -0.0308 X(o=-0.031,f=-0.16) USER MOD Single : A 47 SER OG : rot 15:sc= 0.936 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -131:sc=-0.00906 (180deg=-0.647) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 64 ASN : amide:sc= -0.0457 X(o=-0.046,f=-0.048) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot -132:sc= -1.43 USER MOD Single : A 88 GLN : amide:sc= -2.07! K(o=-2.1!,f=-0.86) USER MOD Single : A 90 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.019) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 1.514 -0.116 0.217 1.00 1.10 N ATOM 2 CA TYR A 1 2.405 0.020 -0.929 1.00 54.54 C ATOM 3 C TYR A 1 3.404 -1.131 -0.983 1.00 0.00 C ATOM 4 O TYR A 1 3.979 -1.515 0.035 1.00 62.03 O ATOM 5 CB TYR A 1 3.150 1.355 -0.867 1.00 72.21 C ATOM 6 CG TYR A 1 3.664 1.824 -2.209 1.00 44.31 C ATOM 7 CD1 TYR A 1 4.843 1.315 -2.740 1.00 21.32 C ATOM 8 CD2 TYR A 1 2.973 2.778 -2.946 1.00 32.22 C ATOM 9 CE1 TYR A 1 5.318 1.741 -3.965 1.00 53.12 C ATOM 10 CE2 TYR A 1 3.439 3.209 -4.173 1.00 30.14 C ATOM 11 CZ TYR A 1 4.612 2.688 -4.678 1.00 32.21 C ATOM 12 OH TYR A 1 5.080 3.116 -5.899 1.00 63.30 O ATOM 0 H1 TYR A 1 0.844 0.679 0.232 1.00 1.10 H new ATOM 0 H2 TYR A 1 0.989 -1.011 0.144 1.00 1.10 H new ATOM 0 H3 TYR A 1 2.073 -0.114 1.094 1.00 1.10 H new ATOM 0 HA TYR A 1 1.798 -0.008 -1.834 1.00 54.54 H new ATOM 0 HB2 TYR A 1 2.484 2.114 -0.457 1.00 72.21 H new ATOM 0 HB3 TYR A 1 3.990 1.261 -0.178 1.00 72.21 H new ATOM 0 HD1 TYR A 1 5.398 0.573 -2.185 1.00 21.32 H new ATOM 0 HD2 TYR A 1 2.055 3.190 -2.553 1.00 32.22 H new ATOM 0 HE1 TYR A 1 6.237 1.335 -4.362 1.00 53.12 H new ATOM 0 HE2 TYR A 1 2.888 3.950 -4.734 1.00 30.14 H new ATOM 0 HH TYR A 1 4.465 3.783 -6.269 1.00 63.30 H new ATOM 22 N GLU A 2 3.605 -1.676 -2.179 1.00 30.44 N ATOM 23 CA GLU A 2 4.535 -2.784 -2.366 1.00 33.14 C ATOM 24 C GLU A 2 5.256 -2.669 -3.706 1.00 34.14 C ATOM 25 O GLU A 2 4.930 -3.374 -4.660 1.00 61.40 O ATOM 26 CB GLU A 2 3.793 -4.120 -2.286 1.00 23.31 C ATOM 27 CG GLU A 2 3.408 -4.519 -0.871 1.00 64.32 C ATOM 28 CD GLU A 2 2.708 -5.863 -0.814 1.00 52.13 C ATOM 29 OE1 GLU A 2 1.663 -6.017 -1.481 1.00 10.45 O ATOM 30 OE2 GLU A 2 3.205 -6.761 -0.103 1.00 63.01 O ATOM 0 H GLU A 2 3.137 -1.369 -3.032 1.00 30.44 H new ATOM 0 HA GLU A 2 5.277 -2.741 -1.569 1.00 33.14 H new ATOM 0 HB2 GLU A 2 2.892 -4.062 -2.896 1.00 23.31 H new ATOM 0 HB3 GLU A 2 4.420 -4.901 -2.717 1.00 23.31 H new ATOM 0 HG2 GLU A 2 4.304 -4.553 -0.251 1.00 64.32 H new ATOM 0 HG3 GLU A 2 2.756 -3.756 -0.447 1.00 64.32 H new ATOM 37 N ALA A 3 6.236 -1.774 -3.768 1.00 62.24 N ATOM 38 CA ALA A 3 7.004 -1.567 -4.990 1.00 23.03 C ATOM 39 C ALA A 3 6.111 -1.075 -6.123 1.00 51.23 C ATOM 40 O ALA A 3 4.957 -1.482 -6.258 1.00 71.21 O ATOM 41 CB ALA A 3 7.712 -2.852 -5.393 1.00 34.43 C ATOM 0 H ALA A 3 6.517 -1.181 -2.987 1.00 62.24 H new ATOM 0 HA ALA A 3 7.752 -0.799 -4.793 1.00 23.03 H new ATOM 0 HB1 ALA A 3 8.281 -2.682 -6.307 1.00 34.43 H new ATOM 0 HB2 ALA A 3 8.389 -3.160 -4.596 1.00 34.43 H new ATOM 0 HB3 ALA A 3 6.974 -3.635 -5.565 1.00 34.43 H new ATOM 47 N PRO A 4 6.654 -0.177 -6.959 1.00 1.15 N ATOM 48 CA PRO A 4 5.923 0.390 -8.095 1.00 51.44 C ATOM 49 C PRO A 4 5.680 -0.634 -9.198 1.00 62.42 C ATOM 50 O PRO A 4 6.256 -1.723 -9.205 1.00 12.30 O ATOM 51 CB PRO A 4 6.849 1.503 -8.593 1.00 61.35 C ATOM 52 CG PRO A 4 8.211 1.085 -8.158 1.00 62.34 C ATOM 53 CD PRO A 4 8.024 0.353 -6.858 1.00 2.42 C ATOM 0 HA PRO A 4 4.931 0.739 -7.808 1.00 51.44 H new ATOM 0 HB2 PRO A 4 6.794 1.608 -9.677 1.00 61.35 H new ATOM 0 HB3 PRO A 4 6.575 2.467 -8.165 1.00 61.35 H new ATOM 0 HG2 PRO A 4 8.679 0.442 -8.904 1.00 62.34 H new ATOM 0 HG3 PRO A 4 8.862 1.950 -8.029 1.00 62.34 H new ATOM 0 HD2 PRO A 4 8.756 -0.446 -6.738 1.00 2.42 H new ATOM 0 HD3 PRO A 4 8.135 1.019 -6.002 1.00 2.42 H new ATOM 61 N PRO A 5 4.808 -0.281 -10.154 1.00 42.01 N ATOM 62 CA PRO A 5 4.470 -1.156 -11.280 1.00 65.44 C ATOM 63 C PRO A 5 5.629 -1.315 -12.259 1.00 1.00 C ATOM 64 O PRO A 5 6.260 -0.335 -12.652 1.00 44.41 O ATOM 65 CB PRO A 5 3.299 -0.435 -11.951 1.00 72.22 C ATOM 66 CG PRO A 5 3.476 0.998 -11.584 1.00 35.32 C ATOM 67 CD PRO A 5 4.085 1.001 -10.209 1.00 61.43 C ATOM 0 HA PRO A 5 4.234 -2.168 -10.952 1.00 65.44 H new ATOM 0 HB2 PRO A 5 3.317 -0.572 -13.032 1.00 72.22 H new ATOM 0 HB3 PRO A 5 2.342 -0.819 -11.597 1.00 72.22 H new ATOM 0 HG2 PRO A 5 4.123 1.507 -12.299 1.00 35.32 H new ATOM 0 HG3 PRO A 5 2.521 1.523 -11.589 1.00 35.32 H new ATOM 0 HD2 PRO A 5 4.757 1.848 -10.069 1.00 61.43 H new ATOM 0 HD3 PRO A 5 3.323 1.067 -9.432 1.00 61.43 H new ATOM 75 N ALA A 6 5.903 -2.556 -12.649 1.00 13.32 N ATOM 76 CA ALA A 6 6.984 -2.842 -13.584 1.00 11.24 C ATOM 77 C ALA A 6 6.515 -2.694 -15.027 1.00 71.21 C ATOM 78 O ALA A 6 5.383 -3.045 -15.363 1.00 10.44 O ATOM 79 CB ALA A 6 7.531 -4.241 -13.345 1.00 24.20 C ATOM 0 H ALA A 6 5.391 -3.379 -12.332 1.00 13.32 H new ATOM 0 HA ALA A 6 7.781 -2.118 -13.413 1.00 11.24 H new ATOM 0 HB1 ALA A 6 8.338 -4.442 -14.050 1.00 24.20 H new ATOM 0 HB2 ALA A 6 7.913 -4.313 -12.327 1.00 24.20 H new ATOM 0 HB3 ALA A 6 6.735 -4.972 -13.487 1.00 24.20 H new ATOM 85 N THR A 7 7.392 -2.172 -15.879 1.00 61.41 N ATOM 86 CA THR A 7 7.067 -1.977 -17.286 1.00 42.43 C ATOM 87 C THR A 7 7.631 -3.105 -18.143 1.00 11.51 C ATOM 88 O THR A 7 8.650 -2.938 -18.815 1.00 54.21 O ATOM 89 CB THR A 7 7.610 -0.632 -17.806 1.00 53.03 C ATOM 90 OG1 THR A 7 7.186 0.432 -16.947 1.00 50.43 O ATOM 91 CG2 THR A 7 7.129 -0.367 -19.225 1.00 65.12 C ATOM 0 H THR A 7 8.333 -1.877 -15.619 1.00 61.41 H new ATOM 0 HA THR A 7 5.980 -1.976 -17.362 1.00 42.43 H new ATOM 0 HB THR A 7 8.699 -0.682 -17.811 1.00 53.03 H new ATOM 0 HG1 THR A 7 7.537 1.283 -17.283 1.00 50.43 H new ATOM 0 HG21 THR A 7 7.525 0.588 -19.571 1.00 65.12 H new ATOM 0 HG22 THR A 7 7.478 -1.164 -19.882 1.00 65.12 H new ATOM 0 HG23 THR A 7 6.040 -0.335 -19.240 1.00 65.12 H new ATOM 99 N LEU A 8 6.963 -4.252 -18.115 1.00 70.43 N ATOM 100 CA LEU A 8 7.397 -5.409 -18.891 1.00 23.22 C ATOM 101 C LEU A 8 7.052 -5.236 -20.366 1.00 61.34 C ATOM 102 O LEU A 8 5.893 -5.357 -20.760 1.00 55.51 O ATOM 103 CB LEU A 8 6.748 -6.684 -18.349 1.00 51.13 C ATOM 104 CG LEU A 8 6.745 -6.842 -16.828 1.00 43.04 C ATOM 105 CD1 LEU A 8 5.452 -6.302 -16.238 1.00 2.32 C ATOM 106 CD2 LEU A 8 6.941 -8.301 -16.443 1.00 72.25 C ATOM 0 H LEU A 8 6.119 -4.406 -17.564 1.00 70.43 H new ATOM 0 HA LEU A 8 8.480 -5.492 -18.798 1.00 23.22 H new ATOM 0 HB2 LEU A 8 5.717 -6.720 -18.700 1.00 51.13 H new ATOM 0 HB3 LEU A 8 7.262 -7.542 -18.782 1.00 51.13 H new ATOM 0 HG LEU A 8 7.575 -6.265 -16.420 1.00 43.04 H new ATOM 0 HD11 LEU A 8 5.468 -6.423 -15.155 1.00 2.32 H new ATOM 0 HD12 LEU A 8 5.354 -5.245 -16.484 1.00 2.32 H new ATOM 0 HD13 LEU A 8 4.606 -6.851 -16.652 1.00 2.32 H new ATOM 0 HD21 LEU A 8 6.936 -8.395 -15.357 1.00 72.25 H new ATOM 0 HD22 LEU A 8 6.132 -8.900 -16.862 1.00 72.25 H new ATOM 0 HD23 LEU A 8 7.895 -8.655 -16.833 1.00 72.25 H new ATOM 118 N GLU A 9 8.067 -4.956 -21.178 1.00 3.35 N ATOM 119 CA GLU A 9 7.870 -4.768 -22.610 1.00 63.01 C ATOM 120 C GLU A 9 7.729 -6.111 -23.320 1.00 61.24 C ATOM 121 O GLU A 9 7.618 -7.156 -22.679 1.00 45.33 O ATOM 122 CB GLU A 9 9.038 -3.982 -23.209 1.00 63.05 C ATOM 123 CG GLU A 9 9.189 -2.584 -22.635 1.00 5.43 C ATOM 124 CD GLU A 9 8.398 -1.547 -23.407 1.00 55.42 C ATOM 125 OE1 GLU A 9 7.151 -1.623 -23.395 1.00 70.34 O ATOM 126 OE2 GLU A 9 9.024 -0.659 -24.023 1.00 75.02 O ATOM 0 H GLU A 9 9.033 -4.854 -20.868 1.00 3.35 H new ATOM 0 HA GLU A 9 6.949 -4.202 -22.753 1.00 63.01 H new ATOM 0 HB2 GLU A 9 9.962 -4.536 -23.041 1.00 63.05 H new ATOM 0 HB3 GLU A 9 8.901 -3.910 -24.288 1.00 63.05 H new ATOM 0 HG2 GLU A 9 8.862 -2.585 -21.595 1.00 5.43 H new ATOM 0 HG3 GLU A 9 10.243 -2.307 -22.637 1.00 5.43 H new ATOM 133 N ALA A 10 7.733 -6.075 -24.649 1.00 3.41 N ATOM 134 CA ALA A 10 7.607 -7.288 -25.447 1.00 3.11 C ATOM 135 C ALA A 10 8.637 -7.315 -26.571 1.00 42.12 C ATOM 136 O ALA A 10 8.325 -6.999 -27.720 1.00 34.15 O ATOM 137 CB ALA A 10 6.200 -7.402 -26.015 1.00 23.44 C ATOM 0 H ALA A 10 7.822 -5.218 -25.195 1.00 3.41 H new ATOM 0 HA ALA A 10 7.795 -8.142 -24.797 1.00 3.11 H new ATOM 0 HB1 ALA A 10 6.120 -8.313 -26.609 1.00 23.44 H new ATOM 0 HB2 ALA A 10 5.479 -7.437 -25.198 1.00 23.44 H new ATOM 0 HB3 ALA A 10 5.991 -6.538 -26.646 1.00 23.44 H new ATOM 143 N ILE A 11 9.865 -7.693 -26.233 1.00 63.12 N ATOM 144 CA ILE A 11 10.940 -7.761 -27.215 1.00 25.30 C ATOM 145 C ILE A 11 10.744 -8.938 -28.164 1.00 62.43 C ATOM 146 O ILE A 11 9.855 -9.767 -27.967 1.00 71.24 O ATOM 147 CB ILE A 11 12.317 -7.889 -26.535 1.00 55.51 C ATOM 148 CG1 ILE A 11 12.440 -6.879 -25.392 1.00 31.54 C ATOM 149 CG2 ILE A 11 13.430 -7.685 -27.551 1.00 43.52 C ATOM 150 CD1 ILE A 11 12.909 -5.513 -25.840 1.00 14.24 C ATOM 0 H ILE A 11 10.140 -7.957 -25.287 1.00 63.12 H new ATOM 0 HA ILE A 11 10.908 -6.831 -27.782 1.00 25.30 H new ATOM 0 HB ILE A 11 12.410 -8.893 -26.120 1.00 55.51 H new ATOM 0 HG12 ILE A 11 11.472 -6.779 -24.901 1.00 31.54 H new ATOM 0 HG13 ILE A 11 13.136 -7.267 -24.648 1.00 31.54 H new ATOM 0 HG21 ILE A 11 14.396 -7.778 -27.056 1.00 43.52 H new ATOM 0 HG22 ILE A 11 13.350 -8.438 -28.335 1.00 43.52 H new ATOM 0 HG23 ILE A 11 13.343 -6.692 -27.992 1.00 43.52 H new ATOM 0 HD11 ILE A 11 12.973 -4.849 -24.978 1.00 14.24 H new ATOM 0 HD12 ILE A 11 13.891 -5.600 -26.305 1.00 14.24 H new ATOM 0 HD13 ILE A 11 12.201 -5.104 -26.561 1.00 14.24 H new ATOM 162 N HIS A 12 11.582 -9.007 -29.194 1.00 73.03 N ATOM 163 CA HIS A 12 11.502 -10.085 -30.174 1.00 2.12 C ATOM 164 C HIS A 12 11.558 -11.447 -29.489 1.00 1.13 C ATOM 165 O HIS A 12 11.801 -11.555 -28.286 1.00 54.44 O ATOM 166 CB HIS A 12 12.639 -9.965 -31.189 1.00 41.31 C ATOM 167 CG HIS A 12 12.180 -9.567 -32.558 1.00 71.02 C ATOM 168 ND1 HIS A 12 12.734 -10.074 -33.715 1.00 32.34 N ATOM 169 CD2 HIS A 12 11.212 -8.707 -32.952 1.00 41.32 C ATOM 170 CE1 HIS A 12 12.128 -9.542 -34.761 1.00 13.13 C ATOM 171 NE2 HIS A 12 11.200 -8.709 -34.325 1.00 52.14 N ATOM 0 H HIS A 12 12.324 -8.330 -29.372 1.00 73.03 H new ATOM 0 HA HIS A 12 10.549 -9.999 -30.695 1.00 2.12 H new ATOM 0 HB2 HIS A 12 13.360 -9.231 -30.829 1.00 41.31 H new ATOM 0 HB3 HIS A 12 13.160 -10.920 -31.253 1.00 41.31 H new ATOM 0 HD2 HIS A 12 10.569 -8.127 -32.307 1.00 41.32 H new ATOM 0 HE1 HIS A 12 12.353 -9.752 -35.796 1.00 13.13 H new ATOM 0 HE2 HIS A 12 10.576 -8.157 -34.913 1.00 52.14 H new ATOM 179 N PRO A 13 11.328 -12.513 -30.270 1.00 12.23 N ATOM 180 CA PRO A 13 11.346 -13.887 -29.759 1.00 43.14 C ATOM 181 C PRO A 13 12.750 -14.345 -29.380 1.00 21.52 C ATOM 182 O PRO A 13 13.019 -15.543 -29.286 1.00 23.20 O ATOM 183 CB PRO A 13 10.815 -14.709 -30.936 1.00 32.41 C ATOM 184 CG PRO A 13 11.135 -13.896 -32.142 1.00 53.41 C ATOM 185 CD PRO A 13 11.032 -12.459 -31.711 1.00 42.42 C ATOM 0 HA PRO A 13 10.757 -13.992 -28.848 1.00 43.14 H new ATOM 0 HB2 PRO A 13 11.291 -15.688 -30.981 1.00 32.41 H new ATOM 0 HB3 PRO A 13 9.742 -14.880 -30.847 1.00 32.41 H new ATOM 0 HG2 PRO A 13 12.135 -14.122 -32.511 1.00 53.41 H new ATOM 0 HG3 PRO A 13 10.440 -14.111 -32.953 1.00 53.41 H new ATOM 0 HD2 PRO A 13 11.743 -11.828 -32.244 1.00 42.42 H new ATOM 0 HD3 PRO A 13 10.039 -12.052 -31.902 1.00 42.42 H new ATOM 193 N LYS A 14 13.642 -13.385 -29.162 1.00 24.41 N ATOM 194 CA LYS A 14 15.019 -13.690 -28.790 1.00 42.35 C ATOM 195 C LYS A 14 15.410 -12.964 -27.507 1.00 54.30 C ATOM 196 O LYS A 14 16.591 -12.756 -27.235 1.00 42.41 O ATOM 197 CB LYS A 14 15.973 -13.297 -29.921 1.00 72.32 C ATOM 198 CG LYS A 14 16.138 -11.796 -30.084 1.00 71.34 C ATOM 199 CD LYS A 14 17.188 -11.461 -31.130 1.00 60.22 C ATOM 200 CE LYS A 14 16.602 -10.632 -32.262 1.00 42.54 C ATOM 201 NZ LYS A 14 17.410 -10.745 -33.508 1.00 51.43 N ATOM 0 H LYS A 14 13.436 -12.389 -29.236 1.00 24.41 H new ATOM 0 HA LYS A 14 15.093 -14.764 -28.616 1.00 42.35 H new ATOM 0 HB2 LYS A 14 16.950 -13.743 -29.733 1.00 72.32 H new ATOM 0 HB3 LYS A 14 15.606 -13.717 -30.857 1.00 72.32 H new ATOM 0 HG2 LYS A 14 15.184 -11.353 -30.370 1.00 71.34 H new ATOM 0 HG3 LYS A 14 16.421 -11.354 -29.129 1.00 71.34 H new ATOM 0 HD2 LYS A 14 18.007 -10.914 -30.663 1.00 60.22 H new ATOM 0 HD3 LYS A 14 17.609 -12.382 -31.532 1.00 60.22 H new ATOM 0 HE2 LYS A 14 15.581 -10.958 -32.460 1.00 42.54 H new ATOM 0 HE3 LYS A 14 16.549 -9.587 -31.957 1.00 42.54 H new ATOM 0 HZ1 LYS A 14 16.978 -10.166 -34.256 1.00 51.43 H new ATOM 0 HZ2 LYS A 14 18.378 -10.410 -33.326 1.00 51.43 H new ATOM 0 HZ3 LYS A 14 17.440 -11.739 -33.814 1.00 51.43 H new ATOM 215 N GLY A 15 14.408 -12.582 -26.720 1.00 41.42 N ATOM 216 CA GLY A 15 14.668 -11.884 -25.474 1.00 61.43 C ATOM 217 C GLY A 15 13.493 -11.037 -25.028 1.00 43.11 C ATOM 218 O GLY A 15 12.450 -11.014 -25.683 1.00 22.22 O ATOM 0 H GLY A 15 13.422 -12.743 -26.923 1.00 41.42 H new ATOM 0 HA2 GLY A 15 14.904 -12.611 -24.697 1.00 61.43 H new ATOM 0 HA3 GLY A 15 15.545 -11.248 -25.593 1.00 61.43 H new ATOM 222 N LEU A 16 13.660 -10.339 -23.910 1.00 62.20 N ATOM 223 CA LEU A 16 12.604 -9.487 -23.375 1.00 51.23 C ATOM 224 C LEU A 16 13.192 -8.301 -22.618 1.00 44.53 C ATOM 225 O LEU A 16 14.389 -8.266 -22.332 1.00 22.21 O ATOM 226 CB LEU A 16 11.690 -10.293 -22.451 1.00 75.23 C ATOM 227 CG LEU A 16 10.406 -9.595 -22.001 1.00 11.11 C ATOM 228 CD1 LEU A 16 9.639 -9.062 -23.201 1.00 74.42 C ATOM 229 CD2 LEU A 16 9.538 -10.546 -21.190 1.00 11.33 C ATOM 0 H LEU A 16 14.517 -10.346 -23.356 1.00 62.20 H new ATOM 0 HA LEU A 16 12.020 -9.106 -24.213 1.00 51.23 H new ATOM 0 HB2 LEU A 16 11.418 -11.218 -22.959 1.00 75.23 H new ATOM 0 HB3 LEU A 16 12.258 -10.572 -21.564 1.00 75.23 H new ATOM 0 HG LEU A 16 10.677 -8.752 -21.366 1.00 11.11 H new ATOM 0 HD11 LEU A 16 8.728 -8.569 -22.861 1.00 74.42 H new ATOM 0 HD12 LEU A 16 10.259 -8.347 -23.741 1.00 74.42 H new ATOM 0 HD13 LEU A 16 9.379 -9.888 -23.863 1.00 74.42 H new ATOM 0 HD21 LEU A 16 8.629 -10.032 -20.878 1.00 11.33 H new ATOM 0 HD22 LEU A 16 9.276 -11.410 -21.801 1.00 11.33 H new ATOM 0 HD23 LEU A 16 10.087 -10.878 -20.309 1.00 11.33 H new ATOM 241 N ARG A 17 12.343 -7.331 -22.295 1.00 52.14 N ATOM 242 CA ARG A 17 12.778 -6.143 -21.571 1.00 25.34 C ATOM 243 C ARG A 17 11.796 -5.796 -20.456 1.00 23.13 C ATOM 244 O ARG A 17 10.582 -5.808 -20.658 1.00 31.04 O ATOM 245 CB ARG A 17 12.919 -4.959 -22.528 1.00 5.50 C ATOM 246 CG ARG A 17 13.387 -3.681 -21.851 1.00 0.42 C ATOM 247 CD ARG A 17 13.221 -2.474 -22.762 1.00 34.41 C ATOM 248 NE ARG A 17 14.452 -2.156 -23.479 1.00 64.32 N ATOM 249 CZ ARG A 17 14.627 -1.043 -24.182 1.00 54.14 C ATOM 250 NH1 ARG A 17 13.653 -0.146 -24.262 1.00 4.12 N ATOM 251 NH2 ARG A 17 15.776 -0.825 -24.808 1.00 5.34 N ATOM 0 H ARG A 17 11.349 -7.345 -22.524 1.00 52.14 H new ATOM 0 HA ARG A 17 13.749 -6.356 -21.123 1.00 25.34 H new ATOM 0 HB2 ARG A 17 13.624 -5.222 -23.316 1.00 5.50 H new ATOM 0 HB3 ARG A 17 11.958 -4.775 -23.009 1.00 5.50 H new ATOM 0 HG2 ARG A 17 12.820 -3.526 -20.933 1.00 0.42 H new ATOM 0 HG3 ARG A 17 14.434 -3.782 -21.566 1.00 0.42 H new ATOM 0 HD2 ARG A 17 12.424 -2.668 -23.479 1.00 34.41 H new ATOM 0 HD3 ARG A 17 12.914 -1.612 -22.169 1.00 34.41 H new ATOM 0 HE ARG A 17 15.220 -2.826 -23.438 1.00 64.32 H new ATOM 0 HH11 ARG A 17 12.768 -0.310 -23.783 1.00 4.12 H new ATOM 0 HH12 ARG A 17 13.789 0.708 -24.802 1.00 4.12 H new ATOM 0 HH21 ARG A 17 16.527 -1.513 -24.750 1.00 5.34 H new ATOM 0 HH22 ARG A 17 15.909 0.030 -25.347 1.00 5.34 H new ATOM 265 N VAL A 18 12.331 -5.487 -19.278 1.00 75.42 N ATOM 266 CA VAL A 18 11.502 -5.136 -18.131 1.00 72.22 C ATOM 267 C VAL A 18 12.172 -4.067 -17.276 1.00 21.03 C ATOM 268 O VAL A 18 13.137 -4.343 -16.563 1.00 43.51 O ATOM 269 CB VAL A 18 11.205 -6.368 -17.255 1.00 42.30 C ATOM 270 CG1 VAL A 18 10.497 -5.954 -15.974 1.00 54.13 C ATOM 271 CG2 VAL A 18 10.378 -7.384 -18.028 1.00 14.25 C ATOM 0 H VAL A 18 13.334 -5.473 -19.094 1.00 75.42 H new ATOM 0 HA VAL A 18 10.564 -4.746 -18.526 1.00 72.22 H new ATOM 0 HB VAL A 18 12.151 -6.836 -16.983 1.00 42.30 H new ATOM 0 HG11 VAL A 18 10.295 -6.837 -15.368 1.00 54.13 H new ATOM 0 HG12 VAL A 18 11.131 -5.267 -15.414 1.00 54.13 H new ATOM 0 HG13 VAL A 18 9.557 -5.461 -16.221 1.00 54.13 H new ATOM 0 HG21 VAL A 18 10.177 -8.248 -17.394 1.00 14.25 H new ATOM 0 HG22 VAL A 18 9.435 -6.930 -18.332 1.00 14.25 H new ATOM 0 HG23 VAL A 18 10.928 -7.703 -18.913 1.00 14.25 H new ATOM 281 N SER A 19 11.653 -2.846 -17.351 1.00 3.41 N ATOM 282 CA SER A 19 12.204 -1.733 -16.586 1.00 14.13 C ATOM 283 C SER A 19 11.186 -1.213 -15.575 1.00 51.20 C ATOM 284 O SER A 19 9.980 -1.391 -15.743 1.00 75.51 O ATOM 285 CB SER A 19 12.631 -0.603 -17.524 1.00 53.32 C ATOM 286 OG SER A 19 12.948 0.572 -16.797 1.00 75.42 O ATOM 0 H SER A 19 10.852 -2.602 -17.933 1.00 3.41 H new ATOM 0 HA SER A 19 13.078 -2.094 -16.044 1.00 14.13 H new ATOM 0 HB2 SER A 19 13.496 -0.918 -18.107 1.00 53.32 H new ATOM 0 HB3 SER A 19 11.829 -0.391 -18.232 1.00 53.32 H new ATOM 0 HG SER A 19 12.907 1.348 -17.395 1.00 75.42 H new ATOM 292 N VAL A 20 11.682 -0.568 -14.524 1.00 12.32 N ATOM 293 CA VAL A 20 10.817 -0.020 -13.485 1.00 43.14 C ATOM 294 C VAL A 20 11.332 1.330 -12.998 1.00 35.12 C ATOM 295 O VAL A 20 12.526 1.623 -13.050 1.00 62.04 O ATOM 296 CB VAL A 20 10.705 -0.978 -12.285 1.00 24.41 C ATOM 297 CG1 VAL A 20 10.126 -2.316 -12.721 1.00 44.42 C ATOM 298 CG2 VAL A 20 12.063 -1.166 -11.625 1.00 42.10 C ATOM 0 H VAL A 20 12.678 -0.412 -14.369 1.00 12.32 H new ATOM 0 HA VAL A 20 9.830 0.109 -13.930 1.00 43.14 H new ATOM 0 HB VAL A 20 10.028 -0.537 -11.553 1.00 24.41 H new ATOM 0 HG11 VAL A 20 10.055 -2.980 -11.859 1.00 44.42 H new ATOM 0 HG12 VAL A 20 9.133 -2.162 -13.144 1.00 44.42 H new ATOM 0 HG13 VAL A 20 10.775 -2.766 -13.472 1.00 44.42 H new ATOM 0 HG21 VAL A 20 11.965 -1.846 -10.779 1.00 42.10 H new ATOM 0 HG22 VAL A 20 12.764 -1.584 -12.347 1.00 42.10 H new ATOM 0 HG23 VAL A 20 12.434 -0.203 -11.275 1.00 42.10 H new ATOM 308 N PRO A 21 10.409 2.173 -12.511 1.00 5.45 N ATOM 309 CA PRO A 21 10.746 3.507 -12.003 1.00 30.45 C ATOM 310 C PRO A 21 11.526 3.448 -10.694 1.00 3.43 C ATOM 311 O PRO A 21 11.049 2.902 -9.699 1.00 54.31 O ATOM 312 CB PRO A 21 9.378 4.158 -11.781 1.00 63.52 C ATOM 313 CG PRO A 21 8.446 3.016 -11.568 1.00 35.32 C ATOM 314 CD PRO A 21 8.967 1.890 -12.417 1.00 44.25 C ATOM 0 HA PRO A 21 11.388 4.056 -12.692 1.00 30.45 H new ATOM 0 HB2 PRO A 21 9.392 4.824 -10.918 1.00 63.52 H new ATOM 0 HB3 PRO A 21 9.080 4.757 -12.642 1.00 63.52 H new ATOM 0 HG2 PRO A 21 8.414 2.729 -10.517 1.00 35.32 H new ATOM 0 HG3 PRO A 21 7.429 3.283 -11.856 1.00 35.32 H new ATOM 0 HD2 PRO A 21 8.777 0.920 -11.958 1.00 44.25 H new ATOM 0 HD3 PRO A 21 8.495 1.876 -13.400 1.00 44.25 H new ATOM 322 N ASP A 22 12.728 4.015 -10.701 1.00 70.52 N ATOM 323 CA ASP A 22 13.574 4.028 -9.514 1.00 1.35 C ATOM 324 C ASP A 22 13.080 5.062 -8.506 1.00 41.24 C ATOM 325 O ASP A 22 13.351 6.255 -8.644 1.00 21.52 O ATOM 326 CB ASP A 22 15.024 4.325 -9.898 1.00 24.11 C ATOM 327 CG ASP A 22 15.856 4.778 -8.714 1.00 40.11 C ATOM 328 OD1 ASP A 22 16.310 3.909 -7.941 1.00 12.01 O ATOM 329 OD2 ASP A 22 16.052 6.002 -8.560 1.00 64.02 O ATOM 0 H ASP A 22 13.138 4.471 -11.516 1.00 70.52 H new ATOM 0 HA ASP A 22 13.523 3.042 -9.051 1.00 1.35 H new ATOM 0 HB2 ASP A 22 15.472 3.431 -10.332 1.00 24.11 H new ATOM 0 HB3 ASP A 22 15.042 5.097 -10.667 1.00 24.11 H new ATOM 334 N GLU A 23 12.353 4.596 -7.495 1.00 44.04 N ATOM 335 CA GLU A 23 11.820 5.481 -6.467 1.00 4.42 C ATOM 336 C GLU A 23 12.818 5.651 -5.325 1.00 2.52 C ATOM 337 O GLU A 23 12.434 5.762 -4.161 1.00 52.54 O ATOM 338 CB GLU A 23 10.498 4.933 -5.926 1.00 1.31 C ATOM 339 CG GLU A 23 9.333 5.898 -6.074 1.00 25.13 C ATOM 340 CD GLU A 23 9.474 7.122 -5.190 1.00 1.10 C ATOM 341 OE1 GLU A 23 9.319 6.986 -3.958 1.00 51.54 O ATOM 342 OE2 GLU A 23 9.740 8.216 -5.731 1.00 12.12 O ATOM 0 H GLU A 23 12.120 3.611 -7.366 1.00 44.04 H new ATOM 0 HA GLU A 23 11.642 6.456 -6.920 1.00 4.42 H new ATOM 0 HB2 GLU A 23 10.259 4.005 -6.446 1.00 1.31 H new ATOM 0 HB3 GLU A 23 10.622 4.685 -4.872 1.00 1.31 H new ATOM 0 HG2 GLU A 23 9.257 6.213 -7.115 1.00 25.13 H new ATOM 0 HG3 GLU A 23 8.405 5.382 -5.828 1.00 25.13 H new ATOM 349 N GLY A 24 14.103 5.670 -5.667 1.00 10.30 N ATOM 350 CA GLY A 24 15.137 5.826 -4.660 1.00 55.23 C ATOM 351 C GLY A 24 15.630 4.497 -4.125 1.00 35.43 C ATOM 352 O GLY A 24 16.129 4.418 -3.002 1.00 60.12 O ATOM 0 H GLY A 24 14.446 5.580 -6.623 1.00 10.30 H new ATOM 0 HA2 GLY A 24 15.976 6.376 -5.087 1.00 55.23 H new ATOM 0 HA3 GLY A 24 14.750 6.425 -3.836 1.00 55.23 H new ATOM 356 N PHE A 25 15.488 3.448 -4.928 1.00 71.33 N ATOM 357 CA PHE A 25 15.920 2.114 -4.528 1.00 23.13 C ATOM 358 C PHE A 25 17.442 2.008 -4.545 1.00 24.53 C ATOM 359 O PHE A 25 18.131 2.884 -5.067 1.00 52.03 O ATOM 360 CB PHE A 25 15.314 1.058 -5.454 1.00 54.23 C ATOM 361 CG PHE A 25 13.815 0.993 -5.388 1.00 55.05 C ATOM 362 CD1 PHE A 25 13.183 0.237 -4.414 1.00 72.24 C ATOM 363 CD2 PHE A 25 13.037 1.688 -6.301 1.00 70.31 C ATOM 364 CE1 PHE A 25 11.803 0.175 -4.351 1.00 24.02 C ATOM 365 CE2 PHE A 25 11.657 1.630 -6.242 1.00 64.01 C ATOM 366 CZ PHE A 25 11.040 0.872 -5.267 1.00 31.24 C ATOM 0 H PHE A 25 15.077 3.496 -5.860 1.00 71.33 H new ATOM 0 HA PHE A 25 15.572 1.937 -3.510 1.00 23.13 H new ATOM 0 HB2 PHE A 25 15.616 1.269 -6.480 1.00 54.23 H new ATOM 0 HB3 PHE A 25 15.724 0.082 -5.196 1.00 54.23 H new ATOM 0 HD1 PHE A 25 13.775 -0.310 -3.696 1.00 72.24 H new ATOM 0 HD2 PHE A 25 13.514 2.281 -7.067 1.00 70.31 H new ATOM 0 HE1 PHE A 25 11.323 -0.418 -3.587 1.00 24.02 H new ATOM 0 HE2 PHE A 25 11.062 2.177 -6.958 1.00 64.01 H new ATOM 0 HZ PHE A 25 9.962 0.824 -5.221 1.00 31.24 H new ATOM 376 N SER A 26 17.961 0.928 -3.969 1.00 33.45 N ATOM 377 CA SER A 26 19.401 0.708 -3.913 1.00 21.30 C ATOM 378 C SER A 26 19.757 -0.688 -4.417 1.00 5.42 C ATOM 379 O SER A 26 20.932 -1.017 -4.590 1.00 53.24 O ATOM 380 CB SER A 26 19.912 0.892 -2.483 1.00 33.44 C ATOM 381 OG SER A 26 21.320 0.745 -2.421 1.00 32.22 O ATOM 0 H SER A 26 17.405 0.192 -3.534 1.00 33.45 H new ATOM 0 HA SER A 26 19.881 1.443 -4.559 1.00 21.30 H new ATOM 0 HB2 SER A 26 19.630 1.879 -2.117 1.00 33.44 H new ATOM 0 HB3 SER A 26 19.438 0.162 -1.827 1.00 33.44 H new ATOM 0 HG SER A 26 21.627 0.210 -3.182 1.00 32.22 H new ATOM 387 N LEU A 27 18.736 -1.504 -4.650 1.00 31.22 N ATOM 388 CA LEU A 27 18.939 -2.865 -5.134 1.00 63.20 C ATOM 389 C LEU A 27 17.671 -3.407 -5.785 1.00 52.32 C ATOM 390 O LEU A 27 16.561 -3.146 -5.320 1.00 3.34 O ATOM 391 CB LEU A 27 19.366 -3.779 -3.983 1.00 55.54 C ATOM 392 CG LEU A 27 18.995 -5.255 -4.126 1.00 33.12 C ATOM 393 CD1 LEU A 27 17.492 -5.444 -3.985 1.00 23.21 C ATOM 394 CD2 LEU A 27 19.480 -5.800 -5.461 1.00 73.42 C ATOM 0 H LEU A 27 17.759 -1.247 -4.512 1.00 31.22 H new ATOM 0 HA LEU A 27 19.729 -2.843 -5.884 1.00 63.20 H new ATOM 0 HB2 LEU A 27 20.448 -3.706 -3.870 1.00 55.54 H new ATOM 0 HB3 LEU A 27 18.923 -3.401 -3.062 1.00 55.54 H new ATOM 0 HG LEU A 27 19.487 -5.812 -3.329 1.00 33.12 H new ATOM 0 HD11 LEU A 27 17.247 -6.501 -4.090 1.00 23.21 H new ATOM 0 HD12 LEU A 27 17.172 -5.093 -3.004 1.00 23.21 H new ATOM 0 HD13 LEU A 27 16.979 -4.874 -4.760 1.00 23.21 H new ATOM 0 HD21 LEU A 27 19.207 -6.852 -5.545 1.00 73.42 H new ATOM 0 HD22 LEU A 27 19.017 -5.239 -6.273 1.00 73.42 H new ATOM 0 HD23 LEU A 27 20.564 -5.700 -5.523 1.00 73.42 H new ATOM 406 N PHE A 28 17.842 -4.164 -6.864 1.00 24.14 N ATOM 407 CA PHE A 28 16.711 -4.744 -7.578 1.00 64.14 C ATOM 408 C PHE A 28 16.997 -6.192 -7.965 1.00 20.32 C ATOM 409 O PHE A 28 18.148 -6.575 -8.174 1.00 11.34 O ATOM 410 CB PHE A 28 16.397 -3.923 -8.831 1.00 12.15 C ATOM 411 CG PHE A 28 14.948 -3.546 -8.952 1.00 31.20 C ATOM 412 CD1 PHE A 28 13.981 -4.517 -9.160 1.00 42.31 C ATOM 413 CD2 PHE A 28 14.553 -2.221 -8.859 1.00 33.44 C ATOM 414 CE1 PHE A 28 12.647 -4.174 -9.272 1.00 11.50 C ATOM 415 CE2 PHE A 28 13.220 -1.872 -8.969 1.00 60.42 C ATOM 416 CZ PHE A 28 12.266 -2.849 -9.177 1.00 61.44 C ATOM 0 H PHE A 28 18.753 -4.390 -7.263 1.00 24.14 H new ATOM 0 HA PHE A 28 15.847 -4.727 -6.914 1.00 64.14 H new ATOM 0 HB2 PHE A 28 17.001 -3.016 -8.822 1.00 12.15 H new ATOM 0 HB3 PHE A 28 16.691 -4.493 -9.712 1.00 12.15 H new ATOM 0 HD1 PHE A 28 14.274 -5.554 -9.235 1.00 42.31 H new ATOM 0 HD2 PHE A 28 15.295 -1.453 -8.699 1.00 33.44 H new ATOM 0 HE1 PHE A 28 11.903 -4.940 -9.434 1.00 11.50 H new ATOM 0 HE2 PHE A 28 12.925 -0.836 -8.892 1.00 60.42 H new ATOM 0 HZ PHE A 28 11.224 -2.578 -9.265 1.00 61.44 H new ATOM 426 N ALA A 29 15.940 -6.993 -8.057 1.00 64.21 N ATOM 427 CA ALA A 29 16.076 -8.398 -8.419 1.00 64.54 C ATOM 428 C ALA A 29 14.985 -8.822 -9.396 1.00 54.33 C ATOM 429 O ALA A 29 13.845 -8.365 -9.305 1.00 41.54 O ATOM 430 CB ALA A 29 16.039 -9.271 -7.173 1.00 45.33 C ATOM 0 H ALA A 29 14.980 -6.692 -7.886 1.00 64.21 H new ATOM 0 HA ALA A 29 17.039 -8.528 -8.912 1.00 64.54 H new ATOM 0 HB1 ALA A 29 16.142 -10.318 -7.459 1.00 45.33 H new ATOM 0 HB2 ALA A 29 16.859 -8.994 -6.510 1.00 45.33 H new ATOM 0 HB3 ALA A 29 15.090 -9.127 -6.656 1.00 45.33 H new ATOM 436 N PHE A 30 15.340 -9.697 -10.331 1.00 1.11 N ATOM 437 CA PHE A 30 14.390 -10.181 -11.326 1.00 45.43 C ATOM 438 C PHE A 30 14.352 -11.706 -11.345 1.00 14.21 C ATOM 439 O PHE A 30 15.362 -12.361 -11.603 1.00 50.21 O ATOM 440 CB PHE A 30 14.760 -9.652 -12.714 1.00 13.43 C ATOM 441 CG PHE A 30 13.726 -9.947 -13.763 1.00 21.14 C ATOM 442 CD1 PHE A 30 13.428 -11.255 -14.111 1.00 42.44 C ATOM 443 CD2 PHE A 30 13.052 -8.918 -14.399 1.00 51.33 C ATOM 444 CE1 PHE A 30 12.478 -11.529 -15.077 1.00 21.22 C ATOM 445 CE2 PHE A 30 12.100 -9.186 -15.365 1.00 63.22 C ATOM 446 CZ PHE A 30 11.812 -10.494 -15.704 1.00 4.24 C ATOM 0 H PHE A 30 16.279 -10.086 -10.421 1.00 1.11 H new ATOM 0 HA PHE A 30 13.400 -9.814 -11.056 1.00 45.43 H new ATOM 0 HB2 PHE A 30 14.909 -8.574 -12.655 1.00 13.43 H new ATOM 0 HB3 PHE A 30 15.711 -10.089 -13.019 1.00 13.43 H new ATOM 0 HD1 PHE A 30 13.943 -12.069 -13.622 1.00 42.44 H new ATOM 0 HD2 PHE A 30 13.273 -7.894 -14.137 1.00 51.33 H new ATOM 0 HE1 PHE A 30 12.256 -12.552 -15.342 1.00 21.22 H new ATOM 0 HE2 PHE A 30 11.582 -8.374 -15.854 1.00 63.22 H new ATOM 0 HZ PHE A 30 11.068 -10.707 -16.457 1.00 4.24 H new ATOM 456 N HIS A 31 13.178 -12.265 -11.069 1.00 31.44 N ATOM 457 CA HIS A 31 13.006 -13.714 -11.053 1.00 41.34 C ATOM 458 C HIS A 31 11.569 -14.094 -11.397 1.00 20.01 C ATOM 459 O HIS A 31 10.709 -14.167 -10.520 1.00 63.30 O ATOM 460 CB HIS A 31 13.382 -14.279 -9.683 1.00 51.32 C ATOM 461 CG HIS A 31 14.782 -14.807 -9.617 1.00 34.24 C ATOM 462 ND1 HIS A 31 15.124 -16.084 -10.010 1.00 14.20 N ATOM 463 CD2 HIS A 31 15.930 -14.223 -9.201 1.00 33.13 C ATOM 464 CE1 HIS A 31 16.421 -16.263 -9.837 1.00 40.32 C ATOM 465 NE2 HIS A 31 16.934 -15.148 -9.348 1.00 33.34 N ATOM 0 H HIS A 31 12.332 -11.737 -10.854 1.00 31.44 H new ATOM 0 HA HIS A 31 13.667 -14.142 -11.807 1.00 41.34 H new ATOM 0 HB2 HIS A 31 13.261 -13.499 -8.932 1.00 51.32 H new ATOM 0 HB3 HIS A 31 12.688 -15.079 -9.426 1.00 51.32 H new ATOM 0 HD2 HIS A 31 16.036 -13.217 -8.824 1.00 33.13 H new ATOM 0 HE1 HIS A 31 16.969 -17.167 -10.058 1.00 40.32 H new ATOM 0 HE2 HIS A 31 17.916 -14.999 -9.117 1.00 33.34 H new ATOM 473 N GLY A 32 11.316 -14.334 -12.680 1.00 31.41 N ATOM 474 CA GLY A 32 9.982 -14.703 -13.116 1.00 71.14 C ATOM 475 C GLY A 32 10.000 -15.671 -14.283 1.00 43.31 C ATOM 476 O GLY A 32 11.066 -16.041 -14.776 1.00 40.33 O ATOM 0 H GLY A 32 12.011 -14.279 -13.425 1.00 31.41 H new ATOM 0 HA2 GLY A 32 9.442 -15.153 -12.283 1.00 71.14 H new ATOM 0 HA3 GLY A 32 9.435 -13.805 -13.402 1.00 71.14 H new ATOM 480 N LYS A 33 8.818 -16.084 -14.726 1.00 14.22 N ATOM 481 CA LYS A 33 8.700 -17.015 -15.842 1.00 4.13 C ATOM 482 C LYS A 33 7.654 -16.535 -16.843 1.00 22.51 C ATOM 483 O LYS A 33 7.237 -15.377 -16.814 1.00 1.25 O ATOM 484 CB LYS A 33 8.332 -18.410 -15.332 1.00 22.10 C ATOM 485 CG LYS A 33 9.021 -18.784 -14.031 1.00 44.11 C ATOM 486 CD LYS A 33 8.028 -19.292 -13.000 1.00 31.03 C ATOM 487 CE LYS A 33 7.580 -20.712 -13.310 1.00 31.13 C ATOM 488 NZ LYS A 33 8.044 -21.678 -12.276 1.00 33.23 N ATOM 0 H LYS A 33 7.926 -15.788 -14.329 1.00 14.22 H new ATOM 0 HA LYS A 33 9.665 -17.062 -16.347 1.00 4.13 H new ATOM 0 HB2 LYS A 33 7.253 -18.462 -15.190 1.00 22.10 H new ATOM 0 HB3 LYS A 33 8.589 -19.146 -16.094 1.00 22.10 H new ATOM 0 HG2 LYS A 33 9.772 -19.551 -14.223 1.00 44.11 H new ATOM 0 HG3 LYS A 33 9.547 -17.916 -13.634 1.00 44.11 H new ATOM 0 HD2 LYS A 33 8.482 -19.261 -12.010 1.00 31.03 H new ATOM 0 HD3 LYS A 33 7.160 -18.633 -12.974 1.00 31.03 H new ATOM 0 HE2 LYS A 33 6.492 -20.744 -13.375 1.00 31.13 H new ATOM 0 HE3 LYS A 33 7.966 -21.010 -14.285 1.00 31.13 H new ATOM 0 HZ1 LYS A 33 7.718 -22.634 -12.523 1.00 33.23 H new ATOM 0 HZ2 LYS A 33 9.083 -21.667 -12.232 1.00 33.23 H new ATOM 0 HZ3 LYS A 33 7.655 -21.409 -11.350 1.00 33.23 H new ATOM 502 N LEU A 34 7.233 -17.433 -17.727 1.00 30.12 N ATOM 503 CA LEU A 34 6.234 -17.102 -18.737 1.00 15.04 C ATOM 504 C LEU A 34 5.146 -18.169 -18.797 1.00 33.44 C ATOM 505 O LEU A 34 5.387 -19.334 -18.480 1.00 54.52 O ATOM 506 CB LEU A 34 6.895 -16.954 -20.108 1.00 10.01 C ATOM 507 CG LEU A 34 6.102 -16.170 -21.154 1.00 62.35 C ATOM 508 CD1 LEU A 34 6.581 -14.728 -21.218 1.00 23.35 C ATOM 509 CD2 LEU A 34 6.219 -16.833 -22.519 1.00 65.31 C ATOM 0 H LEU A 34 7.568 -18.396 -17.765 1.00 30.12 H new ATOM 0 HA LEU A 34 5.773 -16.154 -18.459 1.00 15.04 H new ATOM 0 HB2 LEU A 34 7.861 -16.467 -19.973 1.00 10.01 H new ATOM 0 HB3 LEU A 34 7.093 -17.950 -20.503 1.00 10.01 H new ATOM 0 HG LEU A 34 5.052 -16.170 -20.860 1.00 62.35 H new ATOM 0 HD11 LEU A 34 6.005 -14.186 -21.968 1.00 23.35 H new ATOM 0 HD12 LEU A 34 6.445 -14.256 -20.245 1.00 23.35 H new ATOM 0 HD13 LEU A 34 7.637 -14.707 -21.487 1.00 23.35 H new ATOM 0 HD21 LEU A 34 5.648 -16.262 -23.251 1.00 65.31 H new ATOM 0 HD22 LEU A 34 7.266 -16.865 -22.820 1.00 65.31 H new ATOM 0 HD23 LEU A 34 5.826 -17.848 -22.465 1.00 65.31 H new ATOM 521 N ASN A 35 3.948 -17.764 -19.207 1.00 22.20 N ATOM 522 CA ASN A 35 2.823 -18.687 -19.310 1.00 42.44 C ATOM 523 C ASN A 35 2.789 -19.639 -18.119 1.00 2.22 C ATOM 524 O ASN A 35 2.260 -20.746 -18.212 1.00 43.11 O ATOM 525 CB ASN A 35 2.909 -19.485 -20.613 1.00 2.40 C ATOM 526 CG ASN A 35 2.389 -18.704 -21.805 1.00 20.04 C ATOM 527 OD1 ASN A 35 1.239 -18.866 -22.213 1.00 30.21 O ATOM 528 ND2 ASN A 35 3.237 -17.851 -22.369 1.00 35.43 N ATOM 0 H ASN A 35 3.731 -16.803 -19.473 1.00 22.20 H new ATOM 0 HA ASN A 35 1.904 -18.101 -19.310 1.00 42.44 H new ATOM 0 HB2 ASN A 35 3.945 -19.770 -20.793 1.00 2.40 H new ATOM 0 HB3 ASN A 35 2.338 -20.407 -20.509 1.00 2.40 H new ATOM 0 HD21 ASN A 35 2.944 -17.298 -23.174 1.00 35.43 H new ATOM 0 HD22 ASN A 35 4.181 -17.749 -21.997 1.00 35.43 H new ATOM 535 N GLU A 36 3.357 -19.199 -17.000 1.00 54.31 N ATOM 536 CA GLU A 36 3.391 -20.012 -15.791 1.00 30.45 C ATOM 537 C GLU A 36 3.728 -19.160 -14.571 1.00 15.25 C ATOM 538 O GLU A 36 4.615 -18.309 -14.621 1.00 62.15 O ATOM 539 CB GLU A 36 4.415 -21.140 -15.937 1.00 1.14 C ATOM 540 CG GLU A 36 4.451 -22.087 -14.749 1.00 5.22 C ATOM 541 CD GLU A 36 3.885 -23.455 -15.076 1.00 1.12 C ATOM 542 OE1 GLU A 36 2.644 -23.591 -15.104 1.00 71.04 O ATOM 543 OE2 GLU A 36 4.682 -24.389 -15.303 1.00 2.14 O ATOM 0 H GLU A 36 3.799 -18.285 -16.906 1.00 54.31 H new ATOM 0 HA GLU A 36 2.401 -20.445 -15.648 1.00 30.45 H new ATOM 0 HB2 GLU A 36 4.189 -21.710 -16.838 1.00 1.14 H new ATOM 0 HB3 GLU A 36 5.405 -20.705 -16.074 1.00 1.14 H new ATOM 0 HG2 GLU A 36 5.480 -22.196 -14.407 1.00 5.22 H new ATOM 0 HG3 GLU A 36 3.886 -21.652 -13.925 1.00 5.22 H new ATOM 550 N GLU A 37 3.011 -19.395 -13.476 1.00 1.23 N ATOM 551 CA GLU A 37 3.233 -18.647 -12.243 1.00 71.44 C ATOM 552 C GLU A 37 3.918 -19.519 -11.195 1.00 1.54 C ATOM 553 O GLU A 37 3.947 -20.743 -11.313 1.00 20.15 O ATOM 554 CB GLU A 37 1.906 -18.119 -11.695 1.00 54.03 C ATOM 555 CG GLU A 37 0.889 -19.211 -11.405 1.00 4.44 C ATOM 556 CD GLU A 37 -0.311 -18.699 -10.632 1.00 73.25 C ATOM 557 OE1 GLU A 37 -0.971 -17.757 -11.117 1.00 14.41 O ATOM 558 OE2 GLU A 37 -0.591 -19.243 -9.543 1.00 44.32 O ATOM 0 H GLU A 37 2.273 -20.096 -13.417 1.00 1.23 H new ATOM 0 HA GLU A 37 3.884 -17.803 -12.471 1.00 71.44 H new ATOM 0 HB2 GLU A 37 2.098 -17.560 -10.779 1.00 54.03 H new ATOM 0 HB3 GLU A 37 1.479 -17.418 -12.413 1.00 54.03 H new ATOM 0 HG2 GLU A 37 0.552 -19.647 -12.345 1.00 4.44 H new ATOM 0 HG3 GLU A 37 1.369 -20.008 -10.838 1.00 4.44 H new ATOM 565 N MET A 38 4.469 -18.877 -10.169 1.00 40.13 N ATOM 566 CA MET A 38 5.154 -19.593 -9.099 1.00 53.11 C ATOM 567 C MET A 38 4.383 -19.478 -7.788 1.00 54.10 C ATOM 568 O MET A 38 3.306 -18.884 -7.742 1.00 31.05 O ATOM 569 CB MET A 38 6.572 -19.049 -8.919 1.00 64.32 C ATOM 570 CG MET A 38 6.660 -17.535 -9.019 1.00 64.15 C ATOM 571 SD MET A 38 7.165 -16.976 -10.658 1.00 15.43 S ATOM 572 CE MET A 38 8.925 -16.752 -10.412 1.00 54.33 C ATOM 0 H MET A 38 4.454 -17.863 -10.056 1.00 40.13 H new ATOM 0 HA MET A 38 5.209 -20.646 -9.377 1.00 53.11 H new ATOM 0 HB2 MET A 38 6.952 -19.363 -7.947 1.00 64.32 H new ATOM 0 HB3 MET A 38 7.221 -19.493 -9.674 1.00 64.32 H new ATOM 0 HG2 MET A 38 5.690 -17.101 -8.774 1.00 64.15 H new ATOM 0 HG3 MET A 38 7.370 -17.166 -8.279 1.00 64.15 H new ATOM 0 HE1 MET A 38 9.446 -16.899 -11.358 1.00 54.33 H new ATOM 0 HE2 MET A 38 9.116 -15.743 -10.046 1.00 54.33 H new ATOM 0 HE3 MET A 38 9.286 -17.477 -9.682 1.00 54.33 H new ATOM 582 N GLU A 39 4.941 -20.050 -6.726 1.00 31.11 N ATOM 583 CA GLU A 39 4.304 -20.012 -5.415 1.00 14.21 C ATOM 584 C GLU A 39 5.348 -19.947 -4.304 1.00 72.50 C ATOM 585 O GLU A 39 6.432 -20.517 -4.422 1.00 73.32 O ATOM 586 CB GLU A 39 3.411 -21.240 -5.221 1.00 5.41 C ATOM 587 CG GLU A 39 1.997 -20.901 -4.783 1.00 15.22 C ATOM 588 CD GLU A 39 1.074 -22.104 -4.810 1.00 14.41 C ATOM 589 OE1 GLU A 39 0.663 -22.511 -5.917 1.00 51.40 O ATOM 590 OE2 GLU A 39 0.762 -22.638 -3.725 1.00 51.42 O ATOM 0 H GLU A 39 5.833 -20.545 -6.748 1.00 31.11 H new ATOM 0 HA GLU A 39 3.689 -19.113 -5.364 1.00 14.21 H new ATOM 0 HB2 GLU A 39 3.369 -21.799 -6.156 1.00 5.41 H new ATOM 0 HB3 GLU A 39 3.865 -21.895 -4.478 1.00 5.41 H new ATOM 0 HG2 GLU A 39 2.022 -20.489 -3.774 1.00 15.22 H new ATOM 0 HG3 GLU A 39 1.595 -20.125 -5.434 1.00 15.22 H new ATOM 597 N GLY A 40 5.012 -19.248 -3.224 1.00 63.01 N ATOM 598 CA GLY A 40 5.931 -19.121 -2.108 1.00 11.22 C ATOM 599 C GLY A 40 7.148 -18.285 -2.451 1.00 21.21 C ATOM 600 O GLY A 40 8.217 -18.460 -1.863 1.00 75.44 O ATOM 0 H GLY A 40 4.120 -18.768 -3.102 1.00 63.01 H new ATOM 0 HA2 GLY A 40 5.411 -18.670 -1.263 1.00 11.22 H new ATOM 0 HA3 GLY A 40 6.253 -20.113 -1.792 1.00 11.22 H new ATOM 604 N LEU A 41 6.989 -17.375 -3.405 1.00 71.02 N ATOM 605 CA LEU A 41 8.085 -16.509 -3.828 1.00 34.45 C ATOM 606 C LEU A 41 9.356 -17.318 -4.067 1.00 12.32 C ATOM 607 O LEU A 41 10.210 -17.422 -3.188 1.00 23.44 O ATOM 608 CB LEU A 41 8.343 -15.430 -2.775 1.00 22.55 C ATOM 609 CG LEU A 41 7.130 -14.603 -2.349 1.00 73.20 C ATOM 610 CD1 LEU A 41 7.125 -14.398 -0.842 1.00 63.12 C ATOM 611 CD2 LEU A 41 7.117 -13.264 -3.072 1.00 3.05 C ATOM 0 H LEU A 41 6.112 -17.217 -3.901 1.00 71.02 H new ATOM 0 HA LEU A 41 7.799 -16.032 -4.765 1.00 34.45 H new ATOM 0 HB2 LEU A 41 8.761 -15.908 -1.889 1.00 22.55 H new ATOM 0 HB3 LEU A 41 9.104 -14.751 -3.159 1.00 22.55 H new ATOM 0 HG LEU A 41 6.228 -15.150 -2.623 1.00 73.20 H new ATOM 0 HD11 LEU A 41 6.254 -13.807 -0.558 1.00 63.12 H new ATOM 0 HD12 LEU A 41 7.085 -15.366 -0.343 1.00 63.12 H new ATOM 0 HD13 LEU A 41 8.032 -13.873 -0.543 1.00 63.12 H new ATOM 0 HD21 LEU A 41 6.247 -12.689 -2.757 1.00 3.05 H new ATOM 0 HD22 LEU A 41 8.025 -12.711 -2.830 1.00 3.05 H new ATOM 0 HD23 LEU A 41 7.070 -13.432 -4.148 1.00 3.05 H new ATOM 623 N GLU A 42 9.474 -17.885 -5.263 1.00 72.22 N ATOM 624 CA GLU A 42 10.642 -18.683 -5.618 1.00 10.33 C ATOM 625 C GLU A 42 11.245 -18.208 -6.937 1.00 1.14 C ATOM 626 O GLU A 42 10.658 -17.386 -7.639 1.00 40.33 O ATOM 627 CB GLU A 42 10.265 -20.162 -5.720 1.00 22.20 C ATOM 628 CG GLU A 42 9.421 -20.492 -6.940 1.00 24.53 C ATOM 629 CD GLU A 42 9.305 -21.985 -7.182 1.00 13.15 C ATOM 630 OE1 GLU A 42 8.990 -22.719 -6.222 1.00 72.20 O ATOM 631 OE2 GLU A 42 9.528 -22.418 -8.331 1.00 62.14 O ATOM 0 H GLU A 42 8.776 -17.807 -6.002 1.00 72.22 H new ATOM 0 HA GLU A 42 11.387 -18.559 -4.832 1.00 10.33 H new ATOM 0 HB2 GLU A 42 11.176 -20.760 -5.747 1.00 22.20 H new ATOM 0 HB3 GLU A 42 9.720 -20.452 -4.822 1.00 22.20 H new ATOM 0 HG2 GLU A 42 8.424 -20.070 -6.813 1.00 24.53 H new ATOM 0 HG3 GLU A 42 9.858 -20.018 -7.819 1.00 24.53 H new ATOM 638 N ALA A 43 12.421 -18.732 -7.265 1.00 44.31 N ATOM 639 CA ALA A 43 13.104 -18.363 -8.499 1.00 71.33 C ATOM 640 C ALA A 43 12.650 -19.241 -9.661 1.00 24.44 C ATOM 641 O ALA A 43 13.096 -20.379 -9.802 1.00 31.41 O ATOM 642 CB ALA A 43 14.611 -18.461 -8.318 1.00 64.33 C ATOM 0 H ALA A 43 12.921 -19.413 -6.694 1.00 44.31 H new ATOM 0 HA ALA A 43 12.844 -17.331 -8.734 1.00 71.33 H new ATOM 0 HB1 ALA A 43 15.108 -18.183 -9.247 1.00 64.33 H new ATOM 0 HB2 ALA A 43 14.926 -17.787 -7.522 1.00 64.33 H new ATOM 0 HB3 ALA A 43 14.880 -19.484 -8.055 1.00 64.33 H new ATOM 648 N GLY A 44 11.760 -18.705 -10.490 1.00 44.21 N ATOM 649 CA GLY A 44 11.261 -19.454 -11.628 1.00 71.30 C ATOM 650 C GLY A 44 12.333 -19.714 -12.667 1.00 64.02 C ATOM 651 O GLY A 44 13.225 -20.537 -12.458 1.00 31.34 O ATOM 0 H GLY A 44 11.376 -17.765 -10.394 1.00 44.21 H new ATOM 0 HA2 GLY A 44 10.855 -20.405 -11.283 1.00 71.30 H new ATOM 0 HA3 GLY A 44 10.439 -18.905 -12.088 1.00 71.30 H new ATOM 655 N HIS A 45 12.247 -19.012 -13.793 1.00 4.45 N ATOM 656 CA HIS A 45 13.218 -19.171 -14.869 1.00 61.35 C ATOM 657 C HIS A 45 14.254 -18.052 -14.837 1.00 41.25 C ATOM 658 O HIS A 45 15.412 -18.275 -14.484 1.00 11.34 O ATOM 659 CB HIS A 45 12.510 -19.188 -16.224 1.00 70.24 C ATOM 660 CG HIS A 45 12.559 -20.519 -16.909 1.00 61.24 C ATOM 661 ND1 HIS A 45 13.733 -21.204 -17.139 1.00 64.51 N ATOM 662 CD2 HIS A 45 11.569 -21.292 -17.414 1.00 62.13 C ATOM 663 CE1 HIS A 45 13.464 -22.341 -17.757 1.00 50.52 C ATOM 664 NE2 HIS A 45 12.158 -22.418 -17.936 1.00 35.15 N ATOM 0 H HIS A 45 11.515 -18.328 -13.983 1.00 4.45 H new ATOM 0 HA HIS A 45 13.732 -20.121 -14.724 1.00 61.35 H new ATOM 0 HB2 HIS A 45 11.468 -18.899 -16.084 1.00 70.24 H new ATOM 0 HB3 HIS A 45 12.965 -18.438 -16.872 1.00 70.24 H new ATOM 0 HD2 HIS A 45 10.513 -21.066 -17.408 1.00 62.13 H new ATOM 0 HE1 HIS A 45 14.189 -23.081 -18.063 1.00 50.52 H new ATOM 0 HE2 HIS A 45 11.666 -23.189 -18.388 1.00 35.15 H new ATOM 672 N TRP A 46 13.830 -16.850 -15.210 1.00 2.42 N ATOM 673 CA TRP A 46 14.722 -15.696 -15.224 1.00 50.53 C ATOM 674 C TRP A 46 15.400 -15.514 -13.871 1.00 31.33 C ATOM 675 O TRP A 46 14.826 -15.837 -12.831 1.00 12.44 O ATOM 676 CB TRP A 46 13.946 -14.430 -15.593 1.00 61.25 C ATOM 677 CG TRP A 46 13.421 -14.444 -16.997 1.00 54.21 C ATOM 678 CD1 TRP A 46 14.142 -14.638 -18.140 1.00 71.04 C ATOM 679 CD2 TRP A 46 12.062 -14.254 -17.405 1.00 55.32 C ATOM 680 NE1 TRP A 46 13.313 -14.580 -19.235 1.00 10.03 N ATOM 681 CE2 TRP A 46 12.032 -14.346 -18.810 1.00 73.25 C ATOM 682 CE3 TRP A 46 10.867 -14.016 -16.720 1.00 73.45 C ATOM 683 CZ2 TRP A 46 10.854 -14.208 -19.540 1.00 62.24 C ATOM 684 CZ3 TRP A 46 9.699 -13.879 -17.446 1.00 71.44 C ATOM 685 CH2 TRP A 46 9.699 -13.976 -18.844 1.00 61.33 C ATOM 0 H TRP A 46 12.875 -16.649 -15.507 1.00 2.42 H new ATOM 0 HA TRP A 46 15.493 -15.874 -15.974 1.00 50.53 H new ATOM 0 HB2 TRP A 46 13.112 -14.309 -14.902 1.00 61.25 H new ATOM 0 HB3 TRP A 46 14.595 -13.564 -15.464 1.00 61.25 H new ATOM 0 HD1 TRP A 46 15.207 -14.812 -18.178 1.00 71.04 H new ATOM 0 HE1 TRP A 46 13.604 -14.693 -20.206 1.00 10.03 H new ATOM 0 HE3 TRP A 46 10.857 -13.941 -15.643 1.00 73.45 H new ATOM 0 HZ2 TRP A 46 10.852 -14.282 -20.617 1.00 62.24 H new ATOM 0 HZ3 TRP A 46 8.770 -13.694 -16.927 1.00 71.44 H new ATOM 0 HH2 TRP A 46 8.769 -13.865 -19.382 1.00 61.33 H new ATOM 696 N SER A 47 16.624 -14.997 -13.891 1.00 51.42 N ATOM 697 CA SER A 47 17.381 -14.776 -12.665 1.00 2.03 C ATOM 698 C SER A 47 18.422 -13.678 -12.859 1.00 42.30 C ATOM 699 O SER A 47 19.311 -13.792 -13.703 1.00 23.42 O ATOM 700 CB SER A 47 18.066 -16.071 -12.223 1.00 52.11 C ATOM 701 OG SER A 47 19.189 -16.357 -13.038 1.00 24.22 O ATOM 0 H SER A 47 17.113 -14.723 -14.743 1.00 51.42 H new ATOM 0 HA SER A 47 16.684 -14.459 -11.890 1.00 2.03 H new ATOM 0 HB2 SER A 47 18.380 -15.983 -11.183 1.00 52.11 H new ATOM 0 HB3 SER A 47 17.356 -16.897 -12.273 1.00 52.11 H new ATOM 0 HG SER A 47 19.432 -15.559 -13.552 1.00 24.22 H new ATOM 707 N ARG A 48 18.304 -12.613 -12.072 1.00 22.41 N ATOM 708 CA ARG A 48 19.233 -11.493 -12.157 1.00 64.33 C ATOM 709 C ARG A 48 19.052 -10.545 -10.975 1.00 62.25 C ATOM 710 O ARG A 48 18.017 -10.559 -10.309 1.00 23.02 O ATOM 711 CB ARG A 48 19.031 -10.734 -13.470 1.00 12.13 C ATOM 712 CG ARG A 48 20.328 -10.412 -14.194 1.00 30.32 C ATOM 713 CD ARG A 48 20.752 -8.970 -13.963 1.00 23.44 C ATOM 714 NE ARG A 48 22.182 -8.777 -14.191 1.00 32.31 N ATOM 715 CZ ARG A 48 22.741 -8.782 -15.396 1.00 12.12 C ATOM 716 NH1 ARG A 48 21.995 -8.969 -16.476 1.00 14.52 N ATOM 717 NH2 ARG A 48 24.049 -8.599 -15.522 1.00 60.23 N ATOM 0 H ARG A 48 17.574 -12.503 -11.368 1.00 22.41 H new ATOM 0 HA ARG A 48 20.247 -11.892 -12.128 1.00 64.33 H new ATOM 0 HB2 ARG A 48 18.395 -11.326 -14.128 1.00 12.13 H new ATOM 0 HB3 ARG A 48 18.499 -9.805 -13.265 1.00 12.13 H new ATOM 0 HG2 ARG A 48 21.115 -11.083 -13.849 1.00 30.32 H new ATOM 0 HG3 ARG A 48 20.203 -10.589 -15.262 1.00 30.32 H new ATOM 0 HD2 ARG A 48 20.187 -8.315 -14.627 1.00 23.44 H new ATOM 0 HD3 ARG A 48 20.505 -8.679 -12.942 1.00 23.44 H new ATOM 0 HE ARG A 48 22.784 -8.630 -13.381 1.00 32.31 H new ATOM 0 HH11 ARG A 48 20.989 -9.110 -16.383 1.00 14.52 H new ATOM 0 HH12 ARG A 48 22.427 -8.972 -17.400 1.00 14.52 H new ATOM 0 HH21 ARG A 48 24.626 -8.454 -14.693 1.00 60.23 H new ATOM 0 HH22 ARG A 48 24.478 -8.603 -16.448 1.00 60.23 H new ATOM 731 N ASP A 49 20.065 -9.724 -10.722 1.00 1.11 N ATOM 732 CA ASP A 49 20.018 -8.769 -9.621 1.00 53.41 C ATOM 733 C ASP A 49 20.610 -7.427 -10.040 1.00 50.33 C ATOM 734 O ASP A 49 21.803 -7.327 -10.327 1.00 42.54 O ATOM 735 CB ASP A 49 20.772 -9.317 -8.409 1.00 44.01 C ATOM 736 CG ASP A 49 19.862 -9.557 -7.221 1.00 24.54 C ATOM 737 OD1 ASP A 49 18.910 -10.354 -7.354 1.00 72.30 O ATOM 738 OD2 ASP A 49 20.103 -8.950 -6.157 1.00 2.41 O ATOM 0 H ASP A 49 20.929 -9.700 -11.264 1.00 1.11 H new ATOM 0 HA ASP A 49 18.973 -8.616 -9.350 1.00 53.41 H new ATOM 0 HB2 ASP A 49 21.262 -10.251 -8.682 1.00 44.01 H new ATOM 0 HB3 ASP A 49 21.557 -8.616 -8.126 1.00 44.01 H new ATOM 743 N ILE A 50 19.768 -6.399 -10.074 1.00 64.10 N ATOM 744 CA ILE A 50 20.209 -5.064 -10.458 1.00 50.21 C ATOM 745 C ILE A 50 20.570 -4.231 -9.233 1.00 44.41 C ATOM 746 O ILE A 50 19.700 -3.646 -8.586 1.00 62.44 O ATOM 747 CB ILE A 50 19.127 -4.325 -11.267 1.00 15.33 C ATOM 748 CG1 ILE A 50 18.461 -5.279 -12.260 1.00 55.11 C ATOM 749 CG2 ILE A 50 19.730 -3.132 -11.993 1.00 10.31 C ATOM 750 CD1 ILE A 50 19.410 -5.823 -13.305 1.00 11.14 C ATOM 0 H ILE A 50 18.777 -6.465 -9.840 1.00 64.10 H new ATOM 0 HA ILE A 50 21.094 -5.191 -11.082 1.00 50.21 H new ATOM 0 HB ILE A 50 18.366 -3.959 -10.578 1.00 15.33 H new ATOM 0 HG12 ILE A 50 18.021 -6.112 -11.712 1.00 55.11 H new ATOM 0 HG13 ILE A 50 17.644 -4.759 -12.759 1.00 55.11 H new ATOM 0 HG21 ILE A 50 18.953 -2.620 -12.560 1.00 10.31 H new ATOM 0 HG22 ILE A 50 20.161 -2.444 -11.266 1.00 10.31 H new ATOM 0 HG23 ILE A 50 20.509 -3.476 -12.674 1.00 10.31 H new ATOM 0 HD11 ILE A 50 18.869 -6.492 -13.975 1.00 11.14 H new ATOM 0 HD12 ILE A 50 19.831 -4.998 -13.879 1.00 11.14 H new ATOM 0 HD13 ILE A 50 20.214 -6.372 -12.815 1.00 11.14 H new ATOM 762 N THR A 51 21.861 -4.178 -8.920 1.00 23.24 N ATOM 763 CA THR A 51 22.339 -3.416 -7.773 1.00 11.01 C ATOM 764 C THR A 51 22.797 -2.023 -8.190 1.00 73.25 C ATOM 765 O THR A 51 23.686 -1.439 -7.571 1.00 41.23 O ATOM 766 CB THR A 51 23.502 -4.136 -7.065 1.00 44.31 C ATOM 767 OG1 THR A 51 24.647 -4.180 -7.925 1.00 13.32 O ATOM 768 CG2 THR A 51 23.104 -5.550 -6.670 1.00 51.32 C ATOM 0 H THR A 51 22.594 -4.654 -9.445 1.00 23.24 H new ATOM 0 HA THR A 51 21.501 -3.328 -7.081 1.00 11.01 H new ATOM 0 HB THR A 51 23.748 -3.579 -6.161 1.00 44.31 H new ATOM 0 HG1 THR A 51 25.383 -4.638 -7.467 1.00 13.32 H new ATOM 0 HG21 THR A 51 23.942 -6.038 -6.172 1.00 51.32 H new ATOM 0 HG22 THR A 51 22.251 -5.512 -5.992 1.00 51.32 H new ATOM 0 HG23 THR A 51 22.834 -6.115 -7.562 1.00 51.32 H new ATOM 776 N LYS A 52 22.183 -1.495 -9.244 1.00 64.12 N ATOM 777 CA LYS A 52 22.526 -0.169 -9.744 1.00 60.14 C ATOM 778 C LYS A 52 21.841 0.103 -11.080 1.00 34.52 C ATOM 779 O LYS A 52 21.851 -0.726 -11.990 1.00 72.40 O ATOM 780 CB LYS A 52 24.043 -0.037 -9.901 1.00 54.23 C ATOM 781 CG LYS A 52 24.459 0.941 -10.987 1.00 32.41 C ATOM 782 CD LYS A 52 25.824 1.544 -10.701 1.00 33.24 C ATOM 783 CE LYS A 52 25.728 3.038 -10.431 1.00 74.41 C ATOM 784 NZ LYS A 52 26.637 3.462 -9.331 1.00 13.43 N ATOM 0 H LYS A 52 21.445 -1.965 -9.768 1.00 64.12 H new ATOM 0 HA LYS A 52 22.176 0.566 -9.020 1.00 60.14 H new ATOM 0 HB2 LYS A 52 24.472 0.283 -8.951 1.00 54.23 H new ATOM 0 HB3 LYS A 52 24.463 -1.017 -10.126 1.00 54.23 H new ATOM 0 HG2 LYS A 52 24.480 0.430 -11.949 1.00 32.41 H new ATOM 0 HG3 LYS A 52 23.718 1.736 -11.065 1.00 32.41 H new ATOM 0 HD2 LYS A 52 26.270 1.046 -9.840 1.00 33.24 H new ATOM 0 HD3 LYS A 52 26.486 1.368 -11.549 1.00 33.24 H new ATOM 0 HE2 LYS A 52 25.976 3.588 -11.339 1.00 74.41 H new ATOM 0 HE3 LYS A 52 24.701 3.295 -10.173 1.00 74.41 H new ATOM 0 HZ1 LYS A 52 26.542 4.486 -9.178 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 26.385 2.956 -8.458 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 27.620 3.240 -9.588 1.00 13.43 H new ATOM 798 N PRO A 53 21.231 1.291 -11.202 1.00 44.23 N ATOM 799 CA PRO A 53 20.532 1.700 -12.424 1.00 33.02 C ATOM 800 C PRO A 53 21.490 1.962 -13.581 1.00 32.42 C ATOM 801 O PRO A 53 22.702 1.793 -13.447 1.00 60.33 O ATOM 802 CB PRO A 53 19.825 2.994 -12.012 1.00 30.23 C ATOM 803 CG PRO A 53 20.640 3.529 -10.885 1.00 64.44 C ATOM 804 CD PRO A 53 21.179 2.328 -10.158 1.00 4.11 C ATOM 0 HA PRO A 53 19.856 0.925 -12.785 1.00 33.02 H new ATOM 0 HB2 PRO A 53 19.781 3.702 -12.840 1.00 30.23 H new ATOM 0 HB3 PRO A 53 18.798 2.802 -11.702 1.00 30.23 H new ATOM 0 HG2 PRO A 53 21.450 4.158 -11.253 1.00 64.44 H new ATOM 0 HG3 PRO A 53 20.033 4.146 -10.223 1.00 64.44 H new ATOM 0 HD2 PRO A 53 22.165 2.523 -9.736 1.00 4.11 H new ATOM 0 HD3 PRO A 53 20.531 2.034 -9.332 1.00 4.11 H new ATOM 812 N LYS A 54 20.939 2.375 -14.717 1.00 0.40 N ATOM 813 CA LYS A 54 21.744 2.663 -15.898 1.00 63.41 C ATOM 814 C LYS A 54 21.297 3.963 -16.558 1.00 62.14 C ATOM 815 O LYS A 54 22.113 4.705 -17.104 1.00 74.24 O ATOM 816 CB LYS A 54 21.647 1.510 -16.900 1.00 32.32 C ATOM 817 CG LYS A 54 20.231 1.235 -17.375 1.00 54.23 C ATOM 818 CD LYS A 54 20.221 0.408 -18.650 1.00 52.41 C ATOM 819 CE LYS A 54 20.572 -1.046 -18.374 1.00 50.52 C ATOM 820 NZ LYS A 54 20.643 -1.846 -19.628 1.00 23.44 N ATOM 0 H LYS A 54 19.937 2.518 -14.845 1.00 0.40 H new ATOM 0 HA LYS A 54 22.781 2.775 -15.581 1.00 63.41 H new ATOM 0 HB2 LYS A 54 22.273 1.736 -17.763 1.00 32.32 H new ATOM 0 HB3 LYS A 54 22.050 0.607 -16.442 1.00 32.32 H new ATOM 0 HG2 LYS A 54 19.680 0.709 -16.595 1.00 54.23 H new ATOM 0 HG3 LYS A 54 19.715 2.179 -17.549 1.00 54.23 H new ATOM 0 HD2 LYS A 54 19.236 0.464 -19.113 1.00 52.41 H new ATOM 0 HD3 LYS A 54 20.933 0.826 -19.362 1.00 52.41 H new ATOM 0 HE2 LYS A 54 21.530 -1.097 -17.856 1.00 50.52 H new ATOM 0 HE3 LYS A 54 19.826 -1.480 -17.708 1.00 50.52 H new ATOM 0 HZ1 LYS A 54 20.088 -2.718 -19.515 1.00 23.44 H new ATOM 0 HZ2 LYS A 54 20.257 -1.289 -20.417 1.00 23.44 H new ATOM 0 HZ3 LYS A 54 21.634 -2.090 -19.829 1.00 23.44 H new ATOM 834 N ASN A 55 19.997 4.233 -16.503 1.00 70.21 N ATOM 835 CA ASN A 55 19.442 5.445 -17.095 1.00 61.53 C ATOM 836 C ASN A 55 18.384 6.060 -16.185 1.00 31.24 C ATOM 837 O ASN A 55 17.283 6.386 -16.627 1.00 3.34 O ATOM 838 CB ASN A 55 18.835 5.136 -18.465 1.00 72.33 C ATOM 839 CG ASN A 55 19.212 6.167 -19.511 1.00 4.11 C ATOM 840 OD1 ASN A 55 19.139 7.371 -19.266 1.00 2.32 O ATOM 841 ND2 ASN A 55 19.619 5.698 -20.685 1.00 31.22 N ATOM 0 H ASN A 55 19.308 3.629 -16.055 1.00 70.21 H new ATOM 0 HA ASN A 55 20.252 6.164 -17.217 1.00 61.53 H new ATOM 0 HB2 ASN A 55 19.168 4.151 -18.793 1.00 72.33 H new ATOM 0 HB3 ASN A 55 17.749 5.092 -18.377 1.00 72.33 H new ATOM 0 HD21 ASN A 55 19.887 6.344 -21.427 1.00 31.22 H new ATOM 0 HD22 ASN A 55 19.664 4.692 -20.844 1.00 31.22 H new ATOM 848 N GLY A 56 18.726 6.215 -14.909 1.00 44.52 N ATOM 849 CA GLY A 56 17.796 6.792 -13.956 1.00 72.52 C ATOM 850 C GLY A 56 16.829 5.766 -13.398 1.00 11.31 C ATOM 851 O GLY A 56 16.317 5.925 -12.290 1.00 14.42 O ATOM 0 H GLY A 56 19.631 5.951 -14.519 1.00 44.52 H new ATOM 0 HA2 GLY A 56 18.354 7.245 -13.136 1.00 72.52 H new ATOM 0 HA3 GLY A 56 17.234 7.592 -14.439 1.00 72.52 H new ATOM 855 N ARG A 57 16.577 4.712 -14.167 1.00 43.10 N ATOM 856 CA ARG A 57 15.663 3.658 -13.744 1.00 10.42 C ATOM 857 C ARG A 57 16.340 2.292 -13.809 1.00 51.44 C ATOM 858 O ARG A 57 17.422 2.152 -14.378 1.00 44.04 O ATOM 859 CB ARG A 57 14.408 3.660 -14.619 1.00 45.33 C ATOM 860 CG ARG A 57 14.017 5.041 -15.120 1.00 3.11 C ATOM 861 CD ARG A 57 14.140 5.141 -16.632 1.00 70.34 C ATOM 862 NE ARG A 57 13.364 6.254 -17.172 1.00 43.22 N ATOM 863 CZ ARG A 57 13.323 6.563 -18.463 1.00 41.35 C ATOM 864 NH1 ARG A 57 14.009 5.846 -19.342 1.00 44.25 N ATOM 865 NH2 ARG A 57 12.594 7.592 -18.878 1.00 31.52 N ATOM 0 H ARG A 57 16.993 4.565 -15.087 1.00 43.10 H new ATOM 0 HA ARG A 57 15.377 3.853 -12.710 1.00 10.42 H new ATOM 0 HB2 ARG A 57 14.571 3.005 -15.475 1.00 45.33 H new ATOM 0 HB3 ARG A 57 13.578 3.241 -14.050 1.00 45.33 H new ATOM 0 HG2 ARG A 57 12.992 5.260 -14.822 1.00 3.11 H new ATOM 0 HG3 ARG A 57 14.653 5.792 -14.652 1.00 3.11 H new ATOM 0 HD2 ARG A 57 15.188 5.265 -16.903 1.00 70.34 H new ATOM 0 HD3 ARG A 57 13.802 4.209 -17.086 1.00 70.34 H new ATOM 0 HE ARG A 57 12.824 6.825 -16.522 1.00 43.22 H new ATOM 0 HH11 ARG A 57 14.570 5.055 -19.027 1.00 44.25 H new ATOM 0 HH12 ARG A 57 13.975 6.086 -20.333 1.00 44.25 H new ATOM 0 HH21 ARG A 57 12.065 8.146 -18.205 1.00 31.52 H new ATOM 0 HH22 ARG A 57 12.563 7.828 -19.870 1.00 31.52 H new ATOM 879 N TRP A 58 15.695 1.290 -13.223 1.00 43.13 N ATOM 880 CA TRP A 58 16.236 -0.065 -13.215 1.00 15.33 C ATOM 881 C TRP A 58 15.755 -0.850 -14.430 1.00 31.10 C ATOM 882 O TRP A 58 14.735 -1.538 -14.372 1.00 0.21 O ATOM 883 CB TRP A 58 15.830 -0.790 -11.930 1.00 53.54 C ATOM 884 CG TRP A 58 16.009 0.042 -10.697 1.00 1.53 C ATOM 885 CD1 TRP A 58 15.172 1.019 -10.238 1.00 11.01 C ATOM 886 CD2 TRP A 58 17.095 -0.028 -9.766 1.00 33.10 C ATOM 887 NE1 TRP A 58 15.672 1.560 -9.078 1.00 33.12 N ATOM 888 CE2 TRP A 58 16.850 0.934 -8.767 1.00 12.23 C ATOM 889 CE3 TRP A 58 18.248 -0.812 -9.678 1.00 44.41 C ATOM 890 CZ2 TRP A 58 17.718 1.132 -7.696 1.00 54.41 C ATOM 891 CZ3 TRP A 58 19.109 -0.613 -8.615 1.00 72.41 C ATOM 892 CH2 TRP A 58 18.840 0.351 -7.635 1.00 54.42 C ATOM 0 H TRP A 58 14.798 1.389 -12.748 1.00 43.13 H new ATOM 0 HA TRP A 58 17.323 0.004 -13.258 1.00 15.33 H new ATOM 0 HB2 TRP A 58 14.786 -1.093 -12.007 1.00 53.54 H new ATOM 0 HB3 TRP A 58 16.420 -1.701 -11.834 1.00 53.54 H new ATOM 0 HD1 TRP A 58 14.252 1.322 -10.716 1.00 11.01 H new ATOM 0 HE1 TRP A 58 15.237 2.307 -8.536 1.00 33.12 H new ATOM 0 HE3 TRP A 58 18.463 -1.560 -10.427 1.00 44.41 H new ATOM 0 HZ2 TRP A 58 17.513 1.876 -6.940 1.00 54.41 H new ATOM 0 HZ3 TRP A 58 20.005 -1.211 -8.539 1.00 72.41 H new ATOM 0 HH2 TRP A 58 19.531 0.480 -6.815 1.00 54.42 H new ATOM 903 N ILE A 59 16.495 -0.744 -15.528 1.00 52.54 N ATOM 904 CA ILE A 59 16.143 -1.446 -16.757 1.00 5.54 C ATOM 905 C ILE A 59 16.825 -2.808 -16.825 1.00 71.01 C ATOM 906 O ILE A 59 17.980 -2.957 -16.426 1.00 31.31 O ATOM 907 CB ILE A 59 16.530 -0.627 -18.003 1.00 30.51 C ATOM 908 CG1 ILE A 59 15.954 0.787 -17.910 1.00 70.02 C ATOM 909 CG2 ILE A 59 16.042 -1.322 -19.265 1.00 75.50 C ATOM 910 CD1 ILE A 59 16.553 1.750 -18.911 1.00 3.23 C ATOM 0 H ILE A 59 17.342 -0.179 -15.592 1.00 52.54 H new ATOM 0 HA ILE A 59 15.062 -1.584 -16.745 1.00 5.54 H new ATOM 0 HB ILE A 59 17.617 -0.554 -18.049 1.00 30.51 H new ATOM 0 HG12 ILE A 59 14.876 0.742 -18.062 1.00 70.02 H new ATOM 0 HG13 ILE A 59 16.119 1.172 -16.904 1.00 70.02 H new ATOM 0 HG21 ILE A 59 16.323 -0.732 -20.137 1.00 75.50 H new ATOM 0 HG22 ILE A 59 16.496 -2.311 -19.335 1.00 75.50 H new ATOM 0 HG23 ILE A 59 14.957 -1.422 -19.229 1.00 75.50 H new ATOM 0 HD11 ILE A 59 16.098 2.733 -18.788 1.00 3.23 H new ATOM 0 HD12 ILE A 59 17.628 1.824 -18.746 1.00 3.23 H new ATOM 0 HD13 ILE A 59 16.365 1.388 -19.922 1.00 3.23 H new ATOM 922 N PHE A 60 16.102 -3.800 -17.336 1.00 5.34 N ATOM 923 CA PHE A 60 16.637 -5.151 -17.458 1.00 3.21 C ATOM 924 C PHE A 60 16.245 -5.772 -18.795 1.00 62.03 C ATOM 925 O PHE A 60 15.170 -5.498 -19.328 1.00 14.33 O ATOM 926 CB PHE A 60 16.134 -6.027 -16.309 1.00 25.12 C ATOM 927 CG PHE A 60 16.452 -7.485 -16.483 1.00 41.31 C ATOM 928 CD1 PHE A 60 17.747 -7.898 -16.754 1.00 53.44 C ATOM 929 CD2 PHE A 60 15.456 -8.442 -16.375 1.00 64.12 C ATOM 930 CE1 PHE A 60 18.041 -9.238 -16.916 1.00 63.11 C ATOM 931 CE2 PHE A 60 15.745 -9.784 -16.535 1.00 62.34 C ATOM 932 CZ PHE A 60 17.040 -10.183 -16.805 1.00 53.32 C ATOM 0 H PHE A 60 15.145 -3.693 -17.672 1.00 5.34 H new ATOM 0 HA PHE A 60 17.724 -5.090 -17.410 1.00 3.21 H new ATOM 0 HB2 PHE A 60 16.574 -5.676 -15.376 1.00 25.12 H new ATOM 0 HB3 PHE A 60 15.055 -5.907 -16.217 1.00 25.12 H new ATOM 0 HD1 PHE A 60 18.535 -7.164 -16.839 1.00 53.44 H new ATOM 0 HD2 PHE A 60 14.442 -8.136 -16.163 1.00 64.12 H new ATOM 0 HE1 PHE A 60 19.054 -9.547 -17.129 1.00 63.11 H new ATOM 0 HE2 PHE A 60 14.959 -10.520 -16.449 1.00 62.34 H new ATOM 0 HZ PHE A 60 17.269 -11.231 -16.929 1.00 53.32 H new ATOM 942 N ARG A 61 17.126 -6.610 -19.333 1.00 11.23 N ATOM 943 CA ARG A 61 16.874 -7.269 -20.608 1.00 55.24 C ATOM 944 C ARG A 61 17.308 -8.731 -20.561 1.00 4.34 C ATOM 945 O ARG A 61 18.351 -9.060 -19.996 1.00 24.24 O ATOM 946 CB ARG A 61 17.610 -6.543 -21.736 1.00 31.20 C ATOM 947 CG ARG A 61 17.191 -5.092 -21.902 1.00 54.31 C ATOM 948 CD ARG A 61 17.953 -4.180 -20.954 1.00 13.44 C ATOM 949 NE ARG A 61 18.373 -2.942 -21.605 1.00 4.25 N ATOM 950 CZ ARG A 61 19.412 -2.861 -22.428 1.00 62.15 C ATOM 951 NH1 ARG A 61 20.132 -3.941 -22.701 1.00 11.30 N ATOM 952 NH2 ARG A 61 19.733 -1.699 -22.982 1.00 53.51 N ATOM 0 H ARG A 61 18.021 -6.848 -18.905 1.00 11.23 H new ATOM 0 HA ARG A 61 15.802 -7.233 -20.801 1.00 55.24 H new ATOM 0 HB2 ARG A 61 18.682 -6.583 -21.543 1.00 31.20 H new ATOM 0 HB3 ARG A 61 17.434 -7.072 -22.673 1.00 31.20 H new ATOM 0 HG2 ARG A 61 17.366 -4.777 -22.931 1.00 54.31 H new ATOM 0 HG3 ARG A 61 16.121 -4.998 -21.718 1.00 54.31 H new ATOM 0 HD2 ARG A 61 17.325 -3.943 -20.096 1.00 13.44 H new ATOM 0 HD3 ARG A 61 18.829 -4.704 -20.573 1.00 13.44 H new ATOM 0 HE ARG A 61 17.839 -2.093 -21.417 1.00 4.25 H new ATOM 0 HH11 ARG A 61 19.888 -4.837 -22.278 1.00 11.30 H new ATOM 0 HH12 ARG A 61 20.930 -3.876 -23.334 1.00 11.30 H new ATOM 0 HH21 ARG A 61 19.181 -0.866 -22.776 1.00 53.51 H new ATOM 0 HH22 ARG A 61 20.531 -1.639 -23.614 1.00 53.51 H new ATOM 966 N ASP A 62 16.502 -9.602 -21.156 1.00 70.14 N ATOM 967 CA ASP A 62 16.803 -11.029 -21.182 1.00 43.34 C ATOM 968 C ASP A 62 16.928 -11.532 -22.617 1.00 51.42 C ATOM 969 O ASP A 62 16.168 -11.125 -23.496 1.00 41.42 O ATOM 970 CB ASP A 62 15.717 -11.815 -20.446 1.00 4.52 C ATOM 971 CG ASP A 62 15.327 -11.169 -19.131 1.00 13.11 C ATOM 972 OD1 ASP A 62 15.219 -9.925 -19.089 1.00 25.21 O ATOM 973 OD2 ASP A 62 15.127 -11.907 -18.144 1.00 63.41 O ATOM 0 H ASP A 62 15.635 -9.346 -21.627 1.00 70.14 H new ATOM 0 HA ASP A 62 17.757 -11.183 -20.677 1.00 43.34 H new ATOM 0 HB2 ASP A 62 14.836 -11.896 -21.083 1.00 4.52 H new ATOM 0 HB3 ASP A 62 16.070 -12.829 -20.259 1.00 4.52 H new ATOM 978 N ARG A 63 17.891 -12.418 -22.847 1.00 4.33 N ATOM 979 CA ARG A 63 18.117 -12.974 -24.175 1.00 70.32 C ATOM 980 C ARG A 63 17.695 -14.440 -24.230 1.00 13.44 C ATOM 981 O ARG A 63 18.268 -15.234 -24.974 1.00 1.31 O ATOM 982 CB ARG A 63 19.591 -12.843 -24.563 1.00 51.51 C ATOM 983 CG ARG A 63 19.859 -11.735 -25.569 1.00 22.10 C ATOM 984 CD ARG A 63 20.454 -12.284 -26.856 1.00 41.14 C ATOM 985 NE ARG A 63 21.421 -11.364 -27.448 1.00 44.33 N ATOM 986 CZ ARG A 63 22.271 -11.709 -28.409 1.00 43.31 C ATOM 987 NH1 ARG A 63 22.273 -12.947 -28.884 1.00 50.52 N ATOM 988 NH2 ARG A 63 23.122 -10.815 -28.897 1.00 14.50 N ATOM 0 H ARG A 63 18.528 -12.766 -22.130 1.00 4.33 H new ATOM 0 HA ARG A 63 17.510 -12.411 -24.884 1.00 70.32 H new ATOM 0 HB2 ARG A 63 20.179 -12.657 -23.665 1.00 51.51 H new ATOM 0 HB3 ARG A 63 19.934 -13.790 -24.978 1.00 51.51 H new ATOM 0 HG2 ARG A 63 18.929 -11.211 -25.791 1.00 22.10 H new ATOM 0 HG3 ARG A 63 20.541 -11.004 -25.134 1.00 22.10 H new ATOM 0 HD2 ARG A 63 20.939 -13.239 -26.653 1.00 41.14 H new ATOM 0 HD3 ARG A 63 19.654 -12.479 -27.571 1.00 41.14 H new ATOM 0 HE ARG A 63 21.445 -10.404 -27.105 1.00 44.33 H new ATOM 0 HH11 ARG A 63 21.621 -13.637 -28.512 1.00 50.52 H new ATOM 0 HH12 ARG A 63 22.927 -13.209 -29.622 1.00 50.52 H new ATOM 0 HH21 ARG A 63 23.124 -9.862 -28.534 1.00 14.50 H new ATOM 0 HH22 ARG A 63 23.774 -11.081 -29.635 1.00 14.50 H new ATOM 1002 N ASN A 64 16.688 -14.790 -23.435 1.00 43.13 N ATOM 1003 CA ASN A 64 16.190 -16.160 -23.392 1.00 52.22 C ATOM 1004 C ASN A 64 14.668 -16.182 -23.289 1.00 53.15 C ATOM 1005 O ASN A 64 14.077 -17.182 -22.884 1.00 23.43 O ATOM 1006 CB ASN A 64 16.803 -16.911 -22.208 1.00 51.35 C ATOM 1007 CG ASN A 64 17.859 -16.094 -21.490 1.00 44.41 C ATOM 1008 OD1 ASN A 64 19.041 -16.147 -21.832 1.00 73.34 O ATOM 1009 ND2 ASN A 64 17.437 -15.332 -20.488 1.00 4.33 N ATOM 0 H ASN A 64 16.202 -14.144 -22.813 1.00 43.13 H new ATOM 0 HA ASN A 64 16.482 -16.655 -24.318 1.00 52.22 H new ATOM 0 HB2 ASN A 64 16.015 -17.180 -21.505 1.00 51.35 H new ATOM 0 HB3 ASN A 64 17.246 -17.842 -22.562 1.00 51.35 H new ATOM 0 HD21 ASN A 64 18.102 -14.760 -19.967 1.00 4.33 H new ATOM 0 HD22 ASN A 64 16.448 -15.319 -20.239 1.00 4.33 H new ATOM 1016 N ALA A 65 14.039 -15.071 -23.661 1.00 30.43 N ATOM 1017 CA ALA A 65 12.586 -14.964 -23.613 1.00 41.11 C ATOM 1018 C ALA A 65 11.996 -14.871 -25.016 1.00 62.22 C ATOM 1019 O ALA A 65 12.197 -13.882 -25.720 1.00 13.21 O ATOM 1020 CB ALA A 65 12.173 -13.757 -22.784 1.00 41.20 C ATOM 0 H ALA A 65 14.513 -14.233 -23.999 1.00 30.43 H new ATOM 0 HA ALA A 65 12.195 -15.866 -23.142 1.00 41.11 H new ATOM 0 HB1 ALA A 65 11.085 -13.689 -22.757 1.00 41.20 H new ATOM 0 HB2 ALA A 65 12.555 -13.865 -21.769 1.00 41.20 H new ATOM 0 HB3 ALA A 65 12.582 -12.851 -23.232 1.00 41.20 H new ATOM 1026 N ALA A 66 11.269 -15.909 -25.417 1.00 13.30 N ATOM 1027 CA ALA A 66 10.649 -15.943 -26.736 1.00 32.23 C ATOM 1028 C ALA A 66 9.136 -15.780 -26.636 1.00 10.24 C ATOM 1029 O ALA A 66 8.394 -16.763 -26.631 1.00 51.13 O ATOM 1030 CB ALA A 66 10.995 -17.242 -27.448 1.00 23.30 C ATOM 0 H ALA A 66 11.095 -16.737 -24.848 1.00 13.30 H new ATOM 0 HA ALA A 66 11.041 -15.107 -27.316 1.00 32.23 H new ATOM 0 HB1 ALA A 66 10.526 -17.254 -28.432 1.00 23.30 H new ATOM 0 HB2 ALA A 66 12.076 -17.318 -27.561 1.00 23.30 H new ATOM 0 HB3 ALA A 66 10.631 -18.086 -26.862 1.00 23.30 H new ATOM 1036 N LEU A 67 8.685 -14.533 -26.555 1.00 35.13 N ATOM 1037 CA LEU A 67 7.259 -14.241 -26.454 1.00 11.42 C ATOM 1038 C LEU A 67 6.872 -13.093 -27.381 1.00 14.35 C ATOM 1039 O LEU A 67 7.732 -12.434 -27.964 1.00 44.13 O ATOM 1040 CB LEU A 67 6.890 -13.893 -25.011 1.00 4.45 C ATOM 1041 CG LEU A 67 7.274 -12.489 -24.540 1.00 20.34 C ATOM 1042 CD1 LEU A 67 8.736 -12.204 -24.846 1.00 61.43 C ATOM 1043 CD2 LEU A 67 6.378 -11.445 -25.189 1.00 73.12 C ATOM 0 H LEU A 67 9.285 -13.708 -26.557 1.00 35.13 H new ATOM 0 HA LEU A 67 6.708 -15.131 -26.758 1.00 11.42 H new ATOM 0 HB2 LEU A 67 5.813 -14.012 -24.894 1.00 4.45 H new ATOM 0 HB3 LEU A 67 7.365 -14.619 -24.351 1.00 4.45 H new ATOM 0 HG LEU A 67 7.134 -12.438 -23.460 1.00 20.34 H new ATOM 0 HD11 LEU A 67 8.991 -11.201 -24.504 1.00 61.43 H new ATOM 0 HD12 LEU A 67 9.364 -12.933 -24.333 1.00 61.43 H new ATOM 0 HD13 LEU A 67 8.903 -12.274 -25.921 1.00 61.43 H new ATOM 0 HD21 LEU A 67 6.666 -10.452 -24.842 1.00 73.12 H new ATOM 0 HD22 LEU A 67 6.485 -11.496 -26.272 1.00 73.12 H new ATOM 0 HD23 LEU A 67 5.340 -11.637 -24.918 1.00 73.12 H new ATOM 1055 N LYS A 68 5.570 -12.857 -27.510 1.00 4.33 N ATOM 1056 CA LYS A 68 5.067 -11.786 -28.362 1.00 63.12 C ATOM 1057 C LYS A 68 3.672 -11.352 -27.924 1.00 61.14 C ATOM 1058 O LYS A 68 2.958 -12.104 -27.260 1.00 2.10 O ATOM 1059 CB LYS A 68 5.036 -12.241 -29.823 1.00 25.30 C ATOM 1060 CG LYS A 68 4.329 -13.569 -30.032 1.00 30.15 C ATOM 1061 CD LYS A 68 5.314 -14.726 -30.069 1.00 54.34 C ATOM 1062 CE LYS A 68 4.600 -16.068 -30.013 1.00 53.43 C ATOM 1063 NZ LYS A 68 5.559 -17.202 -29.910 1.00 74.24 N ATOM 0 H LYS A 68 4.844 -13.394 -27.035 1.00 4.33 H new ATOM 0 HA LYS A 68 5.740 -10.934 -28.267 1.00 63.12 H new ATOM 0 HB2 LYS A 68 4.541 -11.477 -30.422 1.00 25.30 H new ATOM 0 HB3 LYS A 68 6.059 -12.322 -30.191 1.00 25.30 H new ATOM 0 HG2 LYS A 68 3.609 -13.729 -29.230 1.00 30.15 H new ATOM 0 HG3 LYS A 68 3.766 -13.540 -30.965 1.00 30.15 H new ATOM 0 HD2 LYS A 68 5.911 -14.668 -30.979 1.00 54.34 H new ATOM 0 HD3 LYS A 68 6.004 -14.645 -29.229 1.00 54.34 H new ATOM 0 HE2 LYS A 68 3.925 -16.085 -29.158 1.00 53.43 H new ATOM 0 HE3 LYS A 68 3.987 -16.191 -30.906 1.00 53.43 H new ATOM 0 HZ1 LYS A 68 5.034 -18.099 -29.874 1.00 74.24 H new ATOM 0 HZ2 LYS A 68 6.187 -17.202 -30.739 1.00 74.24 H new ATOM 0 HZ3 LYS A 68 6.127 -17.099 -29.045 1.00 74.24 H new ATOM 1077 N ILE A 69 3.290 -10.137 -28.302 1.00 11.20 N ATOM 1078 CA ILE A 69 1.979 -9.605 -27.950 1.00 61.11 C ATOM 1079 C ILE A 69 0.937 -10.716 -27.874 1.00 64.24 C ATOM 1080 O ILE A 69 0.620 -11.353 -28.878 1.00 20.32 O ATOM 1081 CB ILE A 69 1.510 -8.546 -28.965 1.00 5.31 C ATOM 1082 CG1 ILE A 69 2.397 -7.301 -28.882 1.00 60.43 C ATOM 1083 CG2 ILE A 69 0.054 -8.182 -28.717 1.00 21.42 C ATOM 1084 CD1 ILE A 69 2.237 -6.530 -27.591 1.00 25.44 C ATOM 0 H ILE A 69 3.869 -9.502 -28.852 1.00 11.20 H new ATOM 0 HA ILE A 69 2.081 -9.138 -26.970 1.00 61.11 H new ATOM 0 HB ILE A 69 1.594 -8.964 -29.968 1.00 5.31 H new ATOM 0 HG12 ILE A 69 3.440 -7.600 -28.990 1.00 60.43 H new ATOM 0 HG13 ILE A 69 2.165 -6.643 -29.720 1.00 60.43 H new ATOM 0 HG21 ILE A 69 -0.262 -7.433 -29.442 1.00 21.42 H new ATOM 0 HG22 ILE A 69 -0.566 -9.072 -28.821 1.00 21.42 H new ATOM 0 HG23 ILE A 69 -0.054 -7.780 -27.710 1.00 21.42 H new ATOM 0 HD11 ILE A 69 2.895 -5.661 -27.602 1.00 25.44 H new ATOM 0 HD12 ILE A 69 1.203 -6.200 -27.490 1.00 25.44 H new ATOM 0 HD13 ILE A 69 2.497 -7.172 -26.749 1.00 25.44 H new ATOM 1096 N GLY A 70 0.407 -10.942 -26.676 1.00 71.13 N ATOM 1097 CA GLY A 70 -0.595 -11.975 -26.492 1.00 32.54 C ATOM 1098 C GLY A 70 -0.260 -12.910 -25.346 1.00 51.01 C ATOM 1099 O GLY A 70 -1.152 -13.503 -24.739 1.00 62.40 O ATOM 0 H GLY A 70 0.654 -10.428 -25.830 1.00 71.13 H new ATOM 0 HA2 GLY A 70 -1.563 -11.509 -26.306 1.00 32.54 H new ATOM 0 HA3 GLY A 70 -0.691 -12.552 -27.412 1.00 32.54 H new ATOM 1103 N ASP A 71 1.028 -13.043 -25.051 1.00 2.23 N ATOM 1104 CA ASP A 71 1.479 -13.913 -23.971 1.00 2.44 C ATOM 1105 C ASP A 71 1.144 -13.308 -22.611 1.00 23.45 C ATOM 1106 O ASP A 71 0.449 -12.296 -22.523 1.00 32.33 O ATOM 1107 CB ASP A 71 2.986 -14.155 -24.078 1.00 35.32 C ATOM 1108 CG ASP A 71 3.313 -15.524 -24.642 1.00 52.10 C ATOM 1109 OD1 ASP A 71 2.432 -16.409 -24.601 1.00 25.02 O ATOM 1110 OD2 ASP A 71 4.449 -15.710 -25.126 1.00 12.44 O ATOM 0 H ASP A 71 1.778 -12.560 -25.544 1.00 2.23 H new ATOM 0 HA ASP A 71 0.958 -14.866 -24.063 1.00 2.44 H new ATOM 0 HB2 ASP A 71 3.430 -13.388 -24.713 1.00 35.32 H new ATOM 0 HB3 ASP A 71 3.438 -14.054 -23.091 1.00 35.32 H new ATOM 1115 N LYS A 72 1.643 -13.936 -21.551 1.00 31.30 N ATOM 1116 CA LYS A 72 1.398 -13.462 -20.194 1.00 54.23 C ATOM 1117 C LYS A 72 2.629 -13.662 -19.317 1.00 2.11 C ATOM 1118 O LYS A 72 3.572 -14.354 -19.703 1.00 33.01 O ATOM 1119 CB LYS A 72 0.200 -14.194 -19.585 1.00 13.43 C ATOM 1120 CG LYS A 72 -1.112 -13.443 -19.735 1.00 73.44 C ATOM 1121 CD LYS A 72 -2.167 -14.297 -20.419 1.00 53.22 C ATOM 1122 CE LYS A 72 -2.326 -13.920 -21.884 1.00 43.41 C ATOM 1123 NZ LYS A 72 -3.053 -14.969 -22.652 1.00 5.55 N ATOM 0 H LYS A 72 2.220 -14.775 -21.606 1.00 31.30 H new ATOM 0 HA LYS A 72 1.178 -12.395 -20.243 1.00 54.23 H new ATOM 0 HB2 LYS A 72 0.105 -15.172 -20.056 1.00 13.43 H new ATOM 0 HB3 LYS A 72 0.391 -14.367 -18.526 1.00 13.43 H new ATOM 0 HG2 LYS A 72 -1.471 -13.136 -18.753 1.00 73.44 H new ATOM 0 HG3 LYS A 72 -0.948 -12.533 -20.313 1.00 73.44 H new ATOM 0 HD2 LYS A 72 -1.892 -15.349 -20.341 1.00 53.22 H new ATOM 0 HD3 LYS A 72 -3.121 -14.178 -19.906 1.00 53.22 H new ATOM 0 HE2 LYS A 72 -2.865 -12.976 -21.959 1.00 43.41 H new ATOM 0 HE3 LYS A 72 -1.343 -13.762 -22.327 1.00 43.41 H new ATOM 0 HZ1 LYS A 72 -3.140 -14.674 -23.645 1.00 5.55 H new ATOM 0 HZ2 LYS A 72 -2.526 -15.864 -22.602 1.00 5.55 H new ATOM 0 HZ3 LYS A 72 -4.001 -15.102 -22.246 1.00 5.55 H new ATOM 1137 N ILE A 73 2.614 -13.054 -18.136 1.00 12.42 N ATOM 1138 CA ILE A 73 3.728 -13.168 -17.204 1.00 5.25 C ATOM 1139 C ILE A 73 3.238 -13.181 -15.760 1.00 4.34 C ATOM 1140 O ILE A 73 2.284 -12.485 -15.411 1.00 23.14 O ATOM 1141 CB ILE A 73 4.733 -12.014 -17.383 1.00 32.03 C ATOM 1142 CG1 ILE A 73 5.347 -12.056 -18.783 1.00 71.45 C ATOM 1143 CG2 ILE A 73 5.819 -12.087 -16.320 1.00 32.32 C ATOM 1144 CD1 ILE A 73 6.159 -10.827 -19.125 1.00 12.43 C ATOM 0 H ILE A 73 1.842 -12.477 -17.802 1.00 12.42 H new ATOM 0 HA ILE A 73 4.228 -14.111 -17.424 1.00 5.25 H new ATOM 0 HB ILE A 73 4.202 -11.069 -17.268 1.00 32.03 H new ATOM 0 HG12 ILE A 73 5.984 -12.937 -18.865 1.00 71.45 H new ATOM 0 HG13 ILE A 73 4.549 -12.170 -19.517 1.00 71.45 H new ATOM 0 HG21 ILE A 73 6.521 -11.265 -16.460 1.00 32.32 H new ATOM 0 HG22 ILE A 73 5.366 -12.013 -15.331 1.00 32.32 H new ATOM 0 HG23 ILE A 73 6.349 -13.036 -16.406 1.00 32.32 H new ATOM 0 HD11 ILE A 73 6.564 -10.927 -20.132 1.00 12.43 H new ATOM 0 HD12 ILE A 73 5.521 -9.944 -19.076 1.00 12.43 H new ATOM 0 HD13 ILE A 73 6.978 -10.723 -18.414 1.00 12.43 H new ATOM 1156 N TYR A 74 3.898 -13.975 -14.924 1.00 4.31 N ATOM 1157 CA TYR A 74 3.530 -14.079 -13.517 1.00 11.20 C ATOM 1158 C TYR A 74 4.759 -14.333 -12.649 1.00 52.43 C ATOM 1159 O TYR A 74 5.335 -15.420 -12.672 1.00 24.23 O ATOM 1160 CB TYR A 74 2.510 -15.201 -13.317 1.00 20.10 C ATOM 1161 CG TYR A 74 1.553 -15.363 -14.476 1.00 73.11 C ATOM 1162 CD1 TYR A 74 1.885 -16.150 -15.572 1.00 41.32 C ATOM 1163 CD2 TYR A 74 0.317 -14.729 -14.476 1.00 14.12 C ATOM 1164 CE1 TYR A 74 1.014 -16.300 -16.634 1.00 21.10 C ATOM 1165 CE2 TYR A 74 -0.561 -14.875 -15.532 1.00 53.23 C ATOM 1166 CZ TYR A 74 -0.208 -15.661 -16.609 1.00 70.11 C ATOM 1167 OH TYR A 74 -1.079 -15.808 -17.664 1.00 52.22 O ATOM 0 H TYR A 74 4.691 -14.556 -15.196 1.00 4.31 H new ATOM 0 HA TYR A 74 3.083 -13.132 -13.214 1.00 11.20 H new ATOM 0 HB2 TYR A 74 3.041 -16.140 -13.161 1.00 20.10 H new ATOM 0 HB3 TYR A 74 1.939 -15.004 -12.410 1.00 20.10 H new ATOM 0 HD1 TYR A 74 2.840 -16.653 -15.594 1.00 41.32 H new ATOM 0 HD2 TYR A 74 0.038 -14.111 -13.635 1.00 14.12 H new ATOM 0 HE1 TYR A 74 1.289 -16.914 -17.479 1.00 21.10 H new ATOM 0 HE2 TYR A 74 -1.519 -14.376 -15.515 1.00 53.23 H new ATOM 0 HH TYR A 74 -1.895 -15.294 -17.489 1.00 52.22 H new ATOM 1177 N PHE A 75 5.154 -13.320 -11.884 1.00 60.43 N ATOM 1178 CA PHE A 75 6.315 -13.432 -11.008 1.00 54.24 C ATOM 1179 C PHE A 75 6.324 -12.311 -9.973 1.00 1.00 C ATOM 1180 O PHE A 75 5.310 -11.649 -9.750 1.00 45.14 O ATOM 1181 CB PHE A 75 7.605 -13.394 -11.829 1.00 42.03 C ATOM 1182 CG PHE A 75 8.022 -12.007 -12.228 1.00 75.02 C ATOM 1183 CD1 PHE A 75 7.101 -11.121 -12.764 1.00 43.43 C ATOM 1184 CD2 PHE A 75 9.333 -11.590 -12.067 1.00 13.43 C ATOM 1185 CE1 PHE A 75 7.482 -9.844 -13.133 1.00 21.12 C ATOM 1186 CE2 PHE A 75 9.719 -10.314 -12.433 1.00 63.11 C ATOM 1187 CZ PHE A 75 8.792 -9.440 -12.966 1.00 3.11 C ATOM 0 H PHE A 75 4.688 -12.413 -11.853 1.00 60.43 H new ATOM 0 HA PHE A 75 6.254 -14.386 -10.484 1.00 54.24 H new ATOM 0 HB2 PHE A 75 8.407 -13.854 -11.252 1.00 42.03 H new ATOM 0 HB3 PHE A 75 7.472 -13.997 -12.727 1.00 42.03 H new ATOM 0 HD1 PHE A 75 6.075 -11.431 -12.895 1.00 43.43 H new ATOM 0 HD2 PHE A 75 10.062 -12.269 -11.651 1.00 13.43 H new ATOM 0 HE1 PHE A 75 6.756 -9.163 -13.551 1.00 21.12 H new ATOM 0 HE2 PHE A 75 10.744 -10.001 -12.302 1.00 63.11 H new ATOM 0 HZ PHE A 75 9.091 -8.442 -13.252 1.00 3.11 H new ATOM 1197 N TRP A 76 7.475 -12.105 -9.343 1.00 62.55 N ATOM 1198 CA TRP A 76 7.617 -11.065 -8.331 1.00 22.52 C ATOM 1199 C TRP A 76 9.039 -10.514 -8.312 1.00 54.05 C ATOM 1200 O TRP A 76 10.004 -11.250 -8.520 1.00 1.20 O ATOM 1201 CB TRP A 76 7.253 -11.615 -6.951 1.00 35.31 C ATOM 1202 CG TRP A 76 7.232 -13.113 -6.895 1.00 4.14 C ATOM 1203 CD1 TRP A 76 8.303 -13.952 -7.016 1.00 60.10 C ATOM 1204 CD2 TRP A 76 6.085 -13.948 -6.705 1.00 21.05 C ATOM 1205 NE1 TRP A 76 7.890 -15.259 -6.913 1.00 2.31 N ATOM 1206 CE2 TRP A 76 6.534 -15.283 -6.721 1.00 23.03 C ATOM 1207 CE3 TRP A 76 4.723 -13.698 -6.520 1.00 74.12 C ATOM 1208 CZ2 TRP A 76 5.668 -16.361 -6.561 1.00 22.42 C ATOM 1209 CZ3 TRP A 76 3.864 -14.770 -6.362 1.00 43.50 C ATOM 1210 CH2 TRP A 76 4.339 -16.088 -6.382 1.00 44.42 C ATOM 0 H TRP A 76 8.323 -12.644 -9.515 1.00 62.55 H new ATOM 0 HA TRP A 76 6.935 -10.253 -8.583 1.00 22.52 H new ATOM 0 HB2 TRP A 76 7.968 -11.241 -6.219 1.00 35.31 H new ATOM 0 HB3 TRP A 76 6.273 -11.234 -6.663 1.00 35.31 H new ATOM 0 HD1 TRP A 76 9.324 -13.635 -7.170 1.00 60.10 H new ATOM 0 HE1 TRP A 76 8.495 -16.078 -6.970 1.00 2.31 H new ATOM 0 HE3 TRP A 76 4.348 -12.685 -6.501 1.00 74.12 H new ATOM 0 HZ2 TRP A 76 6.032 -17.378 -6.578 1.00 22.42 H new ATOM 0 HZ3 TRP A 76 2.809 -14.588 -6.221 1.00 43.50 H new ATOM 0 HH2 TRP A 76 3.643 -16.904 -6.254 1.00 44.42 H new ATOM 1221 N THR A 77 9.161 -9.214 -8.063 1.00 4.04 N ATOM 1222 CA THR A 77 10.465 -8.564 -8.018 1.00 61.12 C ATOM 1223 C THR A 77 10.792 -8.083 -6.609 1.00 70.11 C ATOM 1224 O THR A 77 9.897 -7.738 -5.837 1.00 23.10 O ATOM 1225 CB THR A 77 10.529 -7.367 -8.985 1.00 1.40 C ATOM 1226 OG1 THR A 77 9.313 -6.613 -8.913 1.00 63.52 O ATOM 1227 CG2 THR A 77 10.757 -7.836 -10.414 1.00 21.22 C ATOM 0 H THR A 77 8.373 -8.591 -7.889 1.00 4.04 H new ATOM 0 HA THR A 77 11.200 -9.309 -8.324 1.00 61.12 H new ATOM 0 HB THR A 77 11.366 -6.735 -8.690 1.00 1.40 H new ATOM 0 HG1 THR A 77 9.362 -5.853 -9.529 1.00 63.52 H new ATOM 0 HG21 THR A 77 10.798 -6.973 -11.078 1.00 21.22 H new ATOM 0 HG22 THR A 77 11.698 -8.384 -10.472 1.00 21.22 H new ATOM 0 HG23 THR A 77 9.938 -8.488 -10.718 1.00 21.22 H new ATOM 1235 N PHE A 78 12.079 -8.062 -6.280 1.00 3.21 N ATOM 1236 CA PHE A 78 12.524 -7.623 -4.962 1.00 43.24 C ATOM 1237 C PHE A 78 13.366 -6.354 -5.067 1.00 73.14 C ATOM 1238 O PHE A 78 14.141 -6.186 -6.009 1.00 1.13 O ATOM 1239 CB PHE A 78 13.331 -8.728 -4.279 1.00 23.42 C ATOM 1240 CG PHE A 78 12.722 -9.207 -2.992 1.00 72.33 C ATOM 1241 CD1 PHE A 78 11.782 -10.225 -2.992 1.00 73.13 C ATOM 1242 CD2 PHE A 78 13.089 -8.639 -1.783 1.00 33.32 C ATOM 1243 CE1 PHE A 78 11.219 -10.668 -1.810 1.00 61.52 C ATOM 1244 CE2 PHE A 78 12.530 -9.079 -0.598 1.00 11.24 C ATOM 1245 CZ PHE A 78 11.593 -10.094 -0.611 1.00 41.34 C ATOM 0 H PHE A 78 12.832 -8.344 -6.907 1.00 3.21 H new ATOM 0 HA PHE A 78 11.641 -7.404 -4.362 1.00 43.24 H new ATOM 0 HB2 PHE A 78 13.427 -9.572 -4.962 1.00 23.42 H new ATOM 0 HB3 PHE A 78 14.338 -8.362 -4.081 1.00 23.42 H new ATOM 0 HD1 PHE A 78 11.486 -10.678 -3.927 1.00 73.13 H new ATOM 0 HD2 PHE A 78 13.820 -7.844 -1.766 1.00 33.32 H new ATOM 0 HE1 PHE A 78 10.487 -11.462 -1.824 1.00 61.52 H new ATOM 0 HE2 PHE A 78 12.826 -8.629 0.338 1.00 11.24 H new ATOM 0 HZ PHE A 78 11.154 -10.438 0.314 1.00 41.34 H new ATOM 1255 N VAL A 79 13.206 -5.463 -4.094 1.00 21.22 N ATOM 1256 CA VAL A 79 13.951 -4.210 -4.075 1.00 55.42 C ATOM 1257 C VAL A 79 14.363 -3.837 -2.656 1.00 5.22 C ATOM 1258 O VAL A 79 13.928 -4.461 -1.688 1.00 11.12 O ATOM 1259 CB VAL A 79 13.125 -3.057 -4.677 1.00 74.42 C ATOM 1260 CG1 VAL A 79 13.754 -2.570 -5.973 1.00 52.53 C ATOM 1261 CG2 VAL A 79 11.686 -3.496 -4.905 1.00 60.24 C ATOM 0 H VAL A 79 12.567 -5.586 -3.308 1.00 21.22 H new ATOM 0 HA VAL A 79 14.844 -4.364 -4.681 1.00 55.42 H new ATOM 0 HB VAL A 79 13.120 -2.228 -3.970 1.00 74.42 H new ATOM 0 HG11 VAL A 79 13.157 -1.756 -6.384 1.00 52.53 H new ATOM 0 HG12 VAL A 79 14.765 -2.215 -5.776 1.00 52.53 H new ATOM 0 HG13 VAL A 79 13.791 -3.390 -6.690 1.00 52.53 H new ATOM 0 HG21 VAL A 79 11.117 -2.670 -5.331 1.00 60.24 H new ATOM 0 HG22 VAL A 79 11.668 -4.341 -5.593 1.00 60.24 H new ATOM 0 HG23 VAL A 79 11.241 -3.792 -3.955 1.00 60.24 H new ATOM 1271 N ILE A 80 15.206 -2.816 -2.540 1.00 14.35 N ATOM 1272 CA ILE A 80 15.676 -2.359 -1.238 1.00 1.41 C ATOM 1273 C ILE A 80 15.921 -0.853 -1.239 1.00 70.44 C ATOM 1274 O ILE A 80 16.983 -0.386 -1.652 1.00 32.13 O ATOM 1275 CB ILE A 80 16.973 -3.078 -0.824 1.00 4.12 C ATOM 1276 CG1 ILE A 80 16.749 -4.591 -0.773 1.00 4.35 C ATOM 1277 CG2 ILE A 80 17.458 -2.563 0.523 1.00 12.23 C ATOM 1278 CD1 ILE A 80 18.025 -5.385 -0.594 1.00 54.43 C ATOM 0 H ILE A 80 15.577 -2.290 -3.331 1.00 14.35 H new ATOM 0 HA ILE A 80 14.892 -2.597 -0.519 1.00 1.41 H new ATOM 0 HB ILE A 80 17.741 -2.868 -1.569 1.00 4.12 H new ATOM 0 HG12 ILE A 80 16.069 -4.822 0.047 1.00 4.35 H new ATOM 0 HG13 ILE A 80 16.259 -4.909 -1.693 1.00 4.35 H new ATOM 0 HG21 ILE A 80 18.376 -3.081 0.802 1.00 12.23 H new ATOM 0 HG22 ILE A 80 17.652 -1.493 0.455 1.00 12.23 H new ATOM 0 HG23 ILE A 80 16.694 -2.746 1.279 1.00 12.23 H new ATOM 0 HD11 ILE A 80 17.791 -6.449 -0.567 1.00 54.43 H new ATOM 0 HD12 ILE A 80 18.699 -5.183 -1.427 1.00 54.43 H new ATOM 0 HD13 ILE A 80 18.506 -5.095 0.340 1.00 54.43 H new ATOM 1290 N LYS A 81 14.932 -0.098 -0.774 1.00 31.34 N ATOM 1291 CA LYS A 81 15.039 1.355 -0.717 1.00 63.34 C ATOM 1292 C LYS A 81 15.078 1.842 0.728 1.00 70.05 C ATOM 1293 O LYS A 81 14.369 1.320 1.588 1.00 71.32 O ATOM 1294 CB LYS A 81 13.864 2.002 -1.454 1.00 5.41 C ATOM 1295 CG LYS A 81 13.888 3.521 -1.420 1.00 61.33 C ATOM 1296 CD LYS A 81 12.601 4.086 -0.843 1.00 22.22 C ATOM 1297 CE LYS A 81 12.715 5.581 -0.585 1.00 70.53 C ATOM 1298 NZ LYS A 81 11.685 6.057 0.379 1.00 41.20 N ATOM 0 H LYS A 81 14.046 -0.469 -0.431 1.00 31.34 H new ATOM 0 HA LYS A 81 15.970 1.646 -1.204 1.00 63.34 H new ATOM 0 HB2 LYS A 81 13.870 1.670 -2.492 1.00 5.41 H new ATOM 0 HB3 LYS A 81 12.931 1.652 -1.012 1.00 5.41 H new ATOM 0 HG2 LYS A 81 14.735 3.859 -0.823 1.00 61.33 H new ATOM 0 HG3 LYS A 81 14.035 3.906 -2.429 1.00 61.33 H new ATOM 0 HD2 LYS A 81 11.778 3.896 -1.532 1.00 22.22 H new ATOM 0 HD3 LYS A 81 12.362 3.572 0.088 1.00 22.22 H new ATOM 0 HE2 LYS A 81 13.708 5.808 -0.197 1.00 70.53 H new ATOM 0 HE3 LYS A 81 12.609 6.121 -1.526 1.00 70.53 H new ATOM 0 HZ1 LYS A 81 11.796 7.080 0.528 1.00 41.20 H new ATOM 0 HZ2 LYS A 81 10.737 5.863 -0.002 1.00 41.20 H new ATOM 0 HZ3 LYS A 81 11.802 5.560 1.285 1.00 41.20 H new ATOM 1312 N ASP A 82 15.909 2.846 0.986 1.00 33.35 N ATOM 1313 CA ASP A 82 16.038 3.405 2.327 1.00 14.10 C ATOM 1314 C ASP A 82 16.035 2.301 3.379 1.00 30.33 C ATOM 1315 O ASP A 82 15.456 2.455 4.454 1.00 24.40 O ATOM 1316 CB ASP A 82 14.902 4.392 2.602 1.00 33.34 C ATOM 1317 CG ASP A 82 15.409 5.785 2.919 1.00 31.34 C ATOM 1318 OD1 ASP A 82 16.327 6.256 2.216 1.00 20.33 O ATOM 1319 OD2 ASP A 82 14.888 6.404 3.871 1.00 24.33 O ATOM 0 H ASP A 82 16.503 3.289 0.285 1.00 33.35 H new ATOM 0 HA ASP A 82 16.990 3.933 2.384 1.00 14.10 H new ATOM 0 HB2 ASP A 82 14.245 4.437 1.733 1.00 33.34 H new ATOM 0 HB3 ASP A 82 14.303 4.028 3.436 1.00 33.34 H new ATOM 1324 N GLY A 83 16.686 1.185 3.061 1.00 15.43 N ATOM 1325 CA GLY A 83 16.745 0.071 3.989 1.00 12.10 C ATOM 1326 C GLY A 83 15.374 -0.341 4.489 1.00 63.04 C ATOM 1327 O GLY A 83 15.201 -0.642 5.670 1.00 34.33 O ATOM 0 H GLY A 83 17.173 1.033 2.178 1.00 15.43 H new ATOM 0 HA2 GLY A 83 17.221 -0.780 3.501 1.00 12.10 H new ATOM 0 HA3 GLY A 83 17.372 0.343 4.839 1.00 12.10 H new ATOM 1331 N LEU A 84 14.397 -0.353 3.588 1.00 24.24 N ATOM 1332 CA LEU A 84 13.034 -0.730 3.944 1.00 13.14 C ATOM 1333 C LEU A 84 12.704 -2.129 3.433 1.00 3.24 C ATOM 1334 O LEU A 84 12.186 -2.965 4.173 1.00 43.24 O ATOM 1335 CB LEU A 84 12.039 0.282 3.373 1.00 74.30 C ATOM 1336 CG LEU A 84 11.683 1.460 4.281 1.00 62.33 C ATOM 1337 CD1 LEU A 84 11.250 2.660 3.453 1.00 31.40 C ATOM 1338 CD2 LEU A 84 10.590 1.065 5.264 1.00 65.14 C ATOM 0 H LEU A 84 14.524 -0.106 2.606 1.00 24.24 H new ATOM 0 HA LEU A 84 12.956 -0.733 5.031 1.00 13.14 H new ATOM 0 HB2 LEU A 84 12.447 0.677 2.443 1.00 74.30 H new ATOM 0 HB3 LEU A 84 11.120 -0.246 3.119 1.00 74.30 H new ATOM 0 HG LEU A 84 12.571 1.738 4.849 1.00 62.33 H new ATOM 0 HD11 LEU A 84 11.001 3.489 4.116 1.00 31.40 H new ATOM 0 HD12 LEU A 84 12.063 2.957 2.791 1.00 31.40 H new ATOM 0 HD13 LEU A 84 10.376 2.395 2.858 1.00 31.40 H new ATOM 0 HD21 LEU A 84 10.350 1.916 5.902 1.00 65.14 H new ATOM 0 HD22 LEU A 84 9.699 0.760 4.715 1.00 65.14 H new ATOM 0 HD23 LEU A 84 10.937 0.236 5.880 1.00 65.14 H new ATOM 1350 N GLY A 85 13.011 -2.377 2.163 1.00 35.05 N ATOM 1351 CA GLY A 85 12.742 -3.676 1.576 1.00 73.41 C ATOM 1352 C GLY A 85 11.357 -3.761 0.965 1.00 62.22 C ATOM 1353 O GLY A 85 10.360 -3.857 1.681 1.00 71.35 O ATOM 0 H GLY A 85 13.441 -1.702 1.531 1.00 35.05 H new ATOM 0 HA2 GLY A 85 13.488 -3.886 0.809 1.00 73.41 H new ATOM 0 HA3 GLY A 85 12.846 -4.445 2.341 1.00 73.41 H new ATOM 1357 N TYR A 86 11.294 -3.724 -0.362 1.00 5.05 N ATOM 1358 CA TYR A 86 10.021 -3.793 -1.069 1.00 23.13 C ATOM 1359 C TYR A 86 10.014 -4.948 -2.066 1.00 10.31 C ATOM 1360 O TYR A 86 11.051 -5.550 -2.343 1.00 44.21 O ATOM 1361 CB TYR A 86 9.745 -2.476 -1.795 1.00 43.41 C ATOM 1362 CG TYR A 86 9.450 -1.321 -0.864 1.00 63.22 C ATOM 1363 CD1 TYR A 86 8.170 -1.114 -0.366 1.00 20.21 C ATOM 1364 CD2 TYR A 86 10.453 -0.438 -0.482 1.00 54.11 C ATOM 1365 CE1 TYR A 86 7.896 -0.060 0.484 1.00 21.41 C ATOM 1366 CE2 TYR A 86 10.188 0.618 0.369 1.00 62.13 C ATOM 1367 CZ TYR A 86 8.908 0.803 0.849 1.00 64.33 C ATOM 1368 OH TYR A 86 8.640 1.853 1.696 1.00 32.15 O ATOM 0 H TYR A 86 12.110 -3.647 -0.969 1.00 5.05 H new ATOM 0 HA TYR A 86 9.235 -3.966 -0.334 1.00 23.13 H new ATOM 0 HB2 TYR A 86 10.607 -2.223 -2.412 1.00 43.41 H new ATOM 0 HB3 TYR A 86 8.900 -2.613 -2.470 1.00 43.41 H new ATOM 0 HD1 TYR A 86 7.375 -1.789 -0.648 1.00 20.21 H new ATOM 0 HD2 TYR A 86 11.456 -0.579 -0.856 1.00 54.11 H new ATOM 0 HE1 TYR A 86 6.895 0.087 0.861 1.00 21.41 H new ATOM 0 HE2 TYR A 86 10.979 1.295 0.657 1.00 62.13 H new ATOM 0 HH TYR A 86 9.024 2.676 1.328 1.00 32.15 H new ATOM 1378 N ARG A 87 8.836 -5.250 -2.602 1.00 62.40 N ATOM 1379 CA ARG A 87 8.692 -6.333 -3.568 1.00 50.31 C ATOM 1380 C ARG A 87 7.268 -6.388 -4.114 1.00 21.11 C ATOM 1381 O ARG A 87 6.303 -6.202 -3.374 1.00 54.41 O ATOM 1382 CB ARG A 87 9.055 -7.672 -2.924 1.00 10.23 C ATOM 1383 CG ARG A 87 8.734 -8.874 -3.796 1.00 63.41 C ATOM 1384 CD ARG A 87 8.105 -9.998 -2.987 1.00 52.40 C ATOM 1385 NE ARG A 87 6.710 -9.718 -2.655 1.00 44.01 N ATOM 1386 CZ ARG A 87 6.319 -9.219 -1.488 1.00 34.21 C ATOM 1387 NH1 ARG A 87 7.211 -8.946 -0.547 1.00 25.24 N ATOM 1388 NH2 ARG A 87 5.031 -8.992 -1.261 1.00 21.03 N ATOM 0 H ARG A 87 7.968 -4.761 -2.384 1.00 62.40 H new ATOM 0 HA ARG A 87 9.374 -6.140 -4.396 1.00 50.31 H new ATOM 0 HB2 ARG A 87 10.120 -7.677 -2.691 1.00 10.23 H new ATOM 0 HB3 ARG A 87 8.522 -7.767 -1.978 1.00 10.23 H new ATOM 0 HG2 ARG A 87 8.055 -8.575 -4.594 1.00 63.41 H new ATOM 0 HG3 ARG A 87 9.646 -9.233 -4.272 1.00 63.41 H new ATOM 0 HD2 ARG A 87 8.164 -10.928 -3.552 1.00 52.40 H new ATOM 0 HD3 ARG A 87 8.674 -10.146 -2.069 1.00 52.40 H new ATOM 0 HE ARG A 87 5.998 -9.917 -3.358 1.00 44.01 H new ATOM 0 HH11 ARG A 87 8.202 -9.119 -0.718 1.00 25.24 H new ATOM 0 HH12 ARG A 87 6.907 -8.563 0.348 1.00 25.24 H new ATOM 0 HH21 ARG A 87 4.341 -9.201 -1.983 1.00 21.03 H new ATOM 0 HH22 ARG A 87 4.731 -8.609 -0.365 1.00 21.03 H new ATOM 1402 N GLN A 88 7.147 -6.645 -5.412 1.00 62.03 N ATOM 1403 CA GLN A 88 5.842 -6.723 -6.057 1.00 35.53 C ATOM 1404 C GLN A 88 5.236 -8.113 -5.891 1.00 74.35 C ATOM 1405 O GLN A 88 5.953 -9.095 -5.701 1.00 62.40 O ATOM 1406 CB GLN A 88 5.961 -6.380 -7.542 1.00 50.44 C ATOM 1407 CG GLN A 88 4.638 -5.998 -8.187 1.00 1.12 C ATOM 1408 CD GLN A 88 4.213 -4.582 -7.852 1.00 41.32 C ATOM 1409 OE1 GLN A 88 3.460 -4.355 -6.905 1.00 53.30 O ATOM 1410 NE2 GLN A 88 4.695 -3.619 -8.630 1.00 22.32 N ATOM 0 H GLN A 88 7.937 -6.803 -6.038 1.00 62.03 H new ATOM 0 HA GLN A 88 5.184 -5.999 -5.577 1.00 35.53 H new ATOM 0 HB2 GLN A 88 6.665 -5.556 -7.661 1.00 50.44 H new ATOM 0 HB3 GLN A 88 6.380 -7.236 -8.071 1.00 50.44 H new ATOM 0 HG2 GLN A 88 4.722 -6.102 -9.269 1.00 1.12 H new ATOM 0 HG3 GLN A 88 3.864 -6.693 -7.859 1.00 1.12 H new ATOM 0 HE21 GLN A 88 5.316 -3.852 -9.404 1.00 22.32 H new ATOM 0 HE22 GLN A 88 4.444 -2.646 -8.453 1.00 22.32 H new ATOM 1419 N ASP A 89 3.911 -8.188 -5.965 1.00 64.42 N ATOM 1420 CA ASP A 89 3.209 -9.458 -5.825 1.00 35.45 C ATOM 1421 C ASP A 89 2.082 -9.572 -6.847 1.00 64.42 C ATOM 1422 O ASP A 89 1.983 -8.763 -7.768 1.00 62.25 O ATOM 1423 CB ASP A 89 2.645 -9.600 -4.410 1.00 24.05 C ATOM 1424 CG ASP A 89 1.182 -9.212 -4.327 1.00 61.22 C ATOM 1425 OD1 ASP A 89 0.782 -8.256 -5.023 1.00 42.23 O ATOM 1426 OD2 ASP A 89 0.437 -9.864 -3.566 1.00 70.40 O ATOM 0 H ASP A 89 3.302 -7.384 -6.121 1.00 64.42 H new ATOM 0 HA ASP A 89 3.923 -10.261 -6.006 1.00 35.45 H new ATOM 0 HB2 ASP A 89 2.764 -10.631 -4.077 1.00 24.05 H new ATOM 0 HB3 ASP A 89 3.222 -8.976 -3.728 1.00 24.05 H new ATOM 1431 N ASN A 90 1.237 -10.584 -6.678 1.00 54.33 N ATOM 1432 CA ASN A 90 0.118 -10.805 -7.588 1.00 2.21 C ATOM 1433 C ASN A 90 0.565 -11.585 -8.820 1.00 63.32 C ATOM 1434 O ASN A 90 -0.194 -12.379 -9.374 1.00 63.13 O ATOM 1435 CB ASN A 90 -0.494 -9.468 -8.011 1.00 43.14 C ATOM 1436 CG ASN A 90 -2.009 -9.511 -8.045 1.00 52.41 C ATOM 1437 OD1 ASN A 90 -2.677 -8.534 -7.703 1.00 24.31 O ATOM 1438 ND2 ASN A 90 -2.560 -10.646 -8.459 1.00 21.02 N ATOM 0 H ASN A 90 1.305 -11.263 -5.920 1.00 54.33 H new ATOM 0 HA ASN A 90 -0.635 -11.392 -7.062 1.00 2.21 H new ATOM 0 HB2 ASN A 90 -0.171 -8.689 -7.321 1.00 43.14 H new ATOM 0 HB3 ASN A 90 -0.119 -9.196 -8.997 1.00 43.14 H new ATOM 0 HD21 ASN A 90 -3.575 -10.734 -8.503 1.00 21.02 H new ATOM 0 HD22 ASN A 90 -1.968 -11.430 -8.733 1.00 21.02 H new ATOM 1445 N GLY A 91 1.804 -11.354 -9.244 1.00 4.45 N ATOM 1446 CA GLY A 91 2.332 -12.043 -10.407 1.00 12.42 C ATOM 1447 C GLY A 91 1.315 -12.153 -11.525 1.00 60.35 C ATOM 1448 O GLY A 91 0.644 -13.175 -11.663 1.00 71.42 O ATOM 0 H GLY A 91 2.452 -10.701 -8.802 1.00 4.45 H new ATOM 0 HA2 GLY A 91 3.212 -11.513 -10.771 1.00 12.42 H new ATOM 0 HA3 GLY A 91 2.658 -13.042 -10.117 1.00 12.42 H new ATOM 1452 N GLU A 92 1.200 -11.098 -12.325 1.00 50.34 N ATOM 1453 CA GLU A 92 0.255 -11.081 -13.436 1.00 22.11 C ATOM 1454 C GLU A 92 0.498 -9.875 -14.339 1.00 22.21 C ATOM 1455 O GLU A 92 0.292 -8.731 -13.933 1.00 75.45 O ATOM 1456 CB GLU A 92 -1.182 -11.058 -12.912 1.00 11.15 C ATOM 1457 CG GLU A 92 -2.231 -11.061 -14.011 1.00 12.23 C ATOM 1458 CD GLU A 92 -3.615 -10.713 -13.497 1.00 60.33 C ATOM 1459 OE1 GLU A 92 -4.130 -11.455 -12.634 1.00 53.52 O ATOM 1460 OE2 GLU A 92 -4.183 -9.701 -13.958 1.00 65.12 O ATOM 0 H GLU A 92 1.749 -10.244 -12.225 1.00 50.34 H new ATOM 0 HA GLU A 92 0.406 -11.988 -14.022 1.00 22.11 H new ATOM 0 HB2 GLU A 92 -1.339 -11.924 -12.269 1.00 11.15 H new ATOM 0 HB3 GLU A 92 -1.320 -10.172 -12.292 1.00 11.15 H new ATOM 0 HG2 GLU A 92 -1.944 -10.348 -14.784 1.00 12.23 H new ATOM 0 HG3 GLU A 92 -2.258 -12.045 -14.480 1.00 12.23 H new ATOM 1467 N TRP A 93 0.939 -10.140 -15.563 1.00 75.15 N ATOM 1468 CA TRP A 93 1.211 -9.077 -16.524 1.00 74.13 C ATOM 1469 C TRP A 93 1.108 -9.596 -17.954 1.00 74.22 C ATOM 1470 O TRP A 93 1.939 -10.388 -18.400 1.00 1.20 O ATOM 1471 CB TRP A 93 2.600 -8.486 -16.282 1.00 64.00 C ATOM 1472 CG TRP A 93 2.696 -7.692 -15.014 1.00 75.23 C ATOM 1473 CD1 TRP A 93 2.251 -6.417 -14.810 1.00 74.23 C ATOM 1474 CD2 TRP A 93 3.273 -8.120 -13.776 1.00 65.44 C ATOM 1475 NE1 TRP A 93 2.517 -6.027 -13.520 1.00 62.11 N ATOM 1476 CE2 TRP A 93 3.143 -7.054 -12.865 1.00 23.20 C ATOM 1477 CE3 TRP A 93 3.886 -9.301 -13.348 1.00 62.24 C ATOM 1478 CZ2 TRP A 93 3.605 -7.136 -11.554 1.00 11.41 C ATOM 1479 CZ3 TRP A 93 4.344 -9.380 -12.047 1.00 30.20 C ATOM 1480 CH2 TRP A 93 4.201 -8.303 -11.162 1.00 32.31 C ATOM 0 H TRP A 93 1.116 -11.081 -15.914 1.00 75.15 H new ATOM 0 HA TRP A 93 0.463 -8.297 -16.386 1.00 74.13 H new ATOM 0 HB2 TRP A 93 3.331 -9.294 -16.252 1.00 64.00 H new ATOM 0 HB3 TRP A 93 2.866 -7.847 -17.124 1.00 64.00 H new ATOM 0 HD1 TRP A 93 1.762 -5.805 -15.554 1.00 74.23 H new ATOM 0 HE1 TRP A 93 2.286 -5.120 -13.116 1.00 62.11 H new ATOM 0 HE3 TRP A 93 4.000 -10.137 -14.022 1.00 62.24 H new ATOM 0 HZ2 TRP A 93 3.496 -6.307 -10.870 1.00 11.41 H new ATOM 0 HZ3 TRP A 93 4.820 -10.287 -11.706 1.00 30.20 H new ATOM 0 HH2 TRP A 93 4.569 -8.396 -10.151 1.00 32.31 H new ATOM 1491 N THR A 94 0.082 -9.146 -18.671 1.00 2.24 N ATOM 1492 CA THR A 94 -0.130 -9.566 -20.050 1.00 4.20 C ATOM 1493 C THR A 94 0.705 -8.730 -21.014 1.00 1.05 C ATOM 1494 O THR A 94 0.826 -7.515 -20.853 1.00 61.42 O ATOM 1495 CB THR A 94 -1.614 -9.459 -20.448 1.00 43.43 C ATOM 1496 OG1 THR A 94 -2.409 -10.298 -19.604 1.00 73.22 O ATOM 1497 CG2 THR A 94 -1.814 -9.858 -21.903 1.00 2.54 C ATOM 0 H THR A 94 -0.615 -8.490 -18.318 1.00 2.24 H new ATOM 0 HA THR A 94 0.181 -10.609 -20.114 1.00 4.20 H new ATOM 0 HB THR A 94 -1.927 -8.422 -20.326 1.00 43.43 H new ATOM 0 HG1 THR A 94 -3.351 -10.223 -19.862 1.00 73.22 H new ATOM 0 HG21 THR A 94 -2.870 -9.775 -22.161 1.00 2.54 H new ATOM 0 HG22 THR A 94 -1.230 -9.198 -22.545 1.00 2.54 H new ATOM 0 HG23 THR A 94 -1.486 -10.887 -22.046 1.00 2.54 H new ATOM 1505 N VAL A 95 1.279 -9.388 -22.016 1.00 4.13 N ATOM 1506 CA VAL A 95 2.102 -8.705 -23.007 1.00 52.40 C ATOM 1507 C VAL A 95 1.252 -7.811 -23.904 1.00 65.21 C ATOM 1508 O VAL A 95 0.389 -8.293 -24.637 1.00 10.43 O ATOM 1509 CB VAL A 95 2.874 -9.708 -23.884 1.00 31.32 C ATOM 1510 CG1 VAL A 95 3.821 -8.978 -24.824 1.00 23.25 C ATOM 1511 CG2 VAL A 95 3.631 -10.701 -23.015 1.00 64.22 C ATOM 0 H VAL A 95 1.189 -10.393 -22.163 1.00 4.13 H new ATOM 0 HA VAL A 95 2.816 -8.091 -22.457 1.00 52.40 H new ATOM 0 HB VAL A 95 2.157 -10.262 -24.490 1.00 31.32 H new ATOM 0 HG11 VAL A 95 4.358 -9.703 -25.435 1.00 23.25 H new ATOM 0 HG12 VAL A 95 3.250 -8.311 -25.470 1.00 23.25 H new ATOM 0 HG13 VAL A 95 4.535 -8.396 -24.241 1.00 23.25 H new ATOM 0 HG21 VAL A 95 4.171 -11.403 -23.650 1.00 64.22 H new ATOM 0 HG22 VAL A 95 4.339 -10.165 -22.382 1.00 64.22 H new ATOM 0 HG23 VAL A 95 2.926 -11.247 -22.388 1.00 64.22 H new ATOM 1521 N GLU A 96 1.505 -6.507 -23.841 1.00 33.40 N ATOM 1522 CA GLU A 96 0.762 -5.547 -24.648 1.00 41.51 C ATOM 1523 C GLU A 96 1.693 -4.480 -25.217 1.00 40.42 C ATOM 1524 O GLU A 96 1.242 -3.475 -25.766 1.00 72.54 O ATOM 1525 CB GLU A 96 -0.337 -4.887 -23.813 1.00 12.01 C ATOM 1526 CG GLU A 96 -1.364 -5.869 -23.274 1.00 3.15 C ATOM 1527 CD GLU A 96 -2.304 -5.236 -22.266 1.00 44.31 C ATOM 1528 OE1 GLU A 96 -3.057 -4.318 -22.652 1.00 2.42 O ATOM 1529 OE2 GLU A 96 -2.286 -5.659 -21.091 1.00 64.22 O ATOM 0 H GLU A 96 2.218 -6.092 -23.240 1.00 33.40 H new ATOM 0 HA GLU A 96 0.304 -6.086 -25.477 1.00 41.51 H new ATOM 0 HB2 GLU A 96 0.121 -4.358 -22.977 1.00 12.01 H new ATOM 0 HB3 GLU A 96 -0.846 -4.140 -24.422 1.00 12.01 H new ATOM 0 HG2 GLU A 96 -1.945 -6.273 -24.103 1.00 3.15 H new ATOM 0 HG3 GLU A 96 -0.849 -6.708 -22.807 1.00 3.15 H new ATOM 1536 N GLY A 97 2.996 -4.705 -25.080 1.00 62.45 N ATOM 1537 CA GLY A 97 3.971 -3.755 -25.585 1.00 34.43 C ATOM 1538 C GLY A 97 4.858 -4.350 -26.660 1.00 73.42 C ATOM 1539 O GLY A 97 4.689 -5.508 -27.045 1.00 14.24 O ATOM 0 H GLY A 97 3.394 -5.528 -24.628 1.00 62.45 H new ATOM 0 HA2 GLY A 97 3.452 -2.885 -25.987 1.00 34.43 H new ATOM 0 HA3 GLY A 97 4.591 -3.403 -24.761 1.00 34.43 H new ATOM 1543 N PHE A 98 5.805 -3.557 -27.149 1.00 25.41 N ATOM 1544 CA PHE A 98 6.721 -4.012 -28.189 1.00 1.40 C ATOM 1545 C PHE A 98 8.042 -3.251 -28.121 1.00 0.41 C ATOM 1546 O PHE A 98 8.089 -2.105 -27.674 1.00 10.43 O ATOM 1547 CB PHE A 98 6.087 -3.833 -29.570 1.00 1.41 C ATOM 1548 CG PHE A 98 5.547 -5.108 -30.151 1.00 52.12 C ATOM 1549 CD1 PHE A 98 6.274 -6.285 -30.069 1.00 55.30 C ATOM 1550 CD2 PHE A 98 4.312 -5.130 -30.779 1.00 40.13 C ATOM 1551 CE1 PHE A 98 5.779 -7.459 -30.604 1.00 31.22 C ATOM 1552 CE2 PHE A 98 3.812 -6.302 -31.316 1.00 0.43 C ATOM 1553 CZ PHE A 98 4.546 -7.468 -31.227 1.00 22.02 C ATOM 0 H PHE A 98 5.959 -2.596 -26.842 1.00 25.41 H new ATOM 0 HA PHE A 98 6.923 -5.070 -28.024 1.00 1.40 H new ATOM 0 HB2 PHE A 98 5.279 -3.105 -29.498 1.00 1.41 H new ATOM 0 HB3 PHE A 98 6.830 -3.419 -30.251 1.00 1.41 H new ATOM 0 HD1 PHE A 98 7.238 -6.285 -29.582 1.00 55.30 H new ATOM 0 HD2 PHE A 98 3.733 -4.221 -30.850 1.00 40.13 H new ATOM 0 HE1 PHE A 98 6.356 -8.369 -30.535 1.00 31.22 H new ATOM 0 HE2 PHE A 98 2.849 -6.305 -31.804 1.00 0.43 H new ATOM 0 HZ PHE A 98 4.157 -8.385 -31.644 1.00 22.02 H new ATOM 1563 N VAL A 99 9.114 -3.897 -28.567 1.00 62.15 N ATOM 1564 CA VAL A 99 10.436 -3.283 -28.558 1.00 44.43 C ATOM 1565 C VAL A 99 11.413 -4.067 -29.427 1.00 22.43 C ATOM 1566 O VAL A 99 11.107 -5.169 -29.884 1.00 13.31 O ATOM 1567 CB VAL A 99 11.001 -3.186 -27.128 1.00 73.44 C ATOM 1568 CG1 VAL A 99 10.866 -1.768 -26.595 1.00 62.24 C ATOM 1569 CG2 VAL A 99 10.300 -4.178 -26.212 1.00 1.12 C ATOM 0 H VAL A 99 9.093 -4.846 -28.939 1.00 62.15 H new ATOM 0 HA VAL A 99 10.320 -2.278 -28.964 1.00 44.43 H new ATOM 0 HB VAL A 99 12.061 -3.437 -27.156 1.00 73.44 H new ATOM 0 HG11 VAL A 99 11.270 -1.719 -25.584 1.00 62.24 H new ATOM 0 HG12 VAL A 99 11.417 -1.083 -27.240 1.00 62.24 H new ATOM 0 HG13 VAL A 99 9.814 -1.484 -26.579 1.00 62.24 H new ATOM 0 HG21 VAL A 99 10.711 -4.097 -25.206 1.00 1.12 H new ATOM 0 HG22 VAL A 99 9.233 -3.959 -26.187 1.00 1.12 H new ATOM 0 HG23 VAL A 99 10.454 -5.190 -26.586 1.00 1.12 H new ATOM 1579 N ASP A 100 12.590 -3.494 -29.650 1.00 3.32 N ATOM 1580 CA ASP A 100 13.614 -4.140 -30.463 1.00 22.14 C ATOM 1581 C ASP A 100 14.995 -3.963 -29.839 1.00 30.44 C ATOM 1582 O ASP A 100 15.396 -2.850 -29.503 1.00 2.25 O ATOM 1583 CB ASP A 100 13.605 -3.569 -31.881 1.00 61.14 C ATOM 1584 CG ASP A 100 12.330 -3.900 -32.631 1.00 35.43 C ATOM 1585 OD1 ASP A 100 11.244 -3.826 -32.017 1.00 62.20 O ATOM 1586 OD2 ASP A 100 12.416 -4.233 -33.831 1.00 64.10 O ATOM 0 H ASP A 100 12.859 -2.583 -29.279 1.00 3.32 H new ATOM 0 HA ASP A 100 13.389 -5.206 -30.507 1.00 22.14 H new ATOM 0 HB2 ASP A 100 13.725 -2.487 -31.834 1.00 61.14 H new ATOM 0 HB3 ASP A 100 14.460 -3.961 -32.433 1.00 61.14 H new ATOM 1591 N GLU A 101 15.716 -5.070 -29.686 1.00 40.12 N ATOM 1592 CA GLU A 101 17.051 -5.036 -29.101 1.00 20.24 C ATOM 1593 C GLU A 101 18.108 -4.778 -30.171 1.00 21.54 C ATOM 1594 O GLU A 101 19.139 -5.449 -30.214 1.00 1.03 O ATOM 1595 CB GLU A 101 17.349 -6.353 -28.380 1.00 43.31 C ATOM 1596 CG GLU A 101 18.405 -6.227 -27.294 1.00 52.33 C ATOM 1597 CD GLU A 101 17.894 -5.499 -26.066 1.00 1.01 C ATOM 1598 OE1 GLU A 101 17.023 -4.618 -26.217 1.00 54.32 O ATOM 1599 OE2 GLU A 101 18.367 -5.812 -24.953 1.00 15.32 O ATOM 0 H GLU A 101 15.398 -6.000 -29.959 1.00 40.12 H new ATOM 0 HA GLU A 101 17.083 -4.220 -28.380 1.00 20.24 H new ATOM 0 HB2 GLU A 101 16.428 -6.732 -27.937 1.00 43.31 H new ATOM 0 HB3 GLU A 101 17.678 -7.091 -29.111 1.00 43.31 H new ATOM 0 HG2 GLU A 101 18.746 -7.222 -27.007 1.00 52.33 H new ATOM 0 HG3 GLU A 101 19.270 -5.697 -27.693 1.00 52.33 H new ATOM 1606 N ALA A 102 17.843 -3.802 -31.033 1.00 22.43 N ATOM 1607 CA ALA A 102 18.771 -3.454 -32.102 1.00 21.54 C ATOM 1608 C ALA A 102 19.788 -2.420 -31.631 1.00 13.20 C ATOM 1609 O ALA A 102 20.980 -2.532 -31.919 1.00 1.43 O ATOM 1610 CB ALA A 102 18.010 -2.937 -33.313 1.00 44.32 C ATOM 0 H ALA A 102 16.993 -3.238 -31.012 1.00 22.43 H new ATOM 0 HA ALA A 102 19.314 -4.355 -32.386 1.00 21.54 H new ATOM 0 HB1 ALA A 102 18.715 -2.681 -34.104 1.00 44.32 H new ATOM 0 HB2 ALA A 102 17.328 -3.708 -33.671 1.00 44.32 H new ATOM 0 HB3 ALA A 102 17.440 -2.051 -33.034 1.00 44.32 H new TER 1616 ALA A 102