USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 798 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 16:sc= 0.886 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0147 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.201 K(o=0.2,f=-5.5!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.49! K(o=-1.5!,f=-0.25) USER MOD Single : A 25 SER OG : rot 43:sc= 0.0298 USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.07) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -19:sc= 0.933 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 37 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.39) USER MOD Single : A 38 MET CE :methyl 170:sc= -0.23 (180deg=-0.395) USER MOD Single : A 40 SER OG : rot 79:sc= 0.00612 USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= -0.021 (180deg=-0.183) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00813 USER MOD Single : A 54 ASN : amide:sc= -1.96! K(o=-2!,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.16) USER MOD Single : A 57 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.8) USER MOD Single : A 65 HIS : no HD1:sc=-0.00411 X(o=-0.0041,f=0) USER MOD Single : A 66 THR OG1 : rot 15:sc= 0.78 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0847 X(o=-0.085,f=-0.059) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -51:sc= 0.624 USER MOD Single : A 82 HIS : no HD1:sc= -0.755 K(o=-0.76,f=0.19) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 90 SER OG : rot -30:sc= 0.797 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= -0.797 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -44:sc= 0.342 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -133:sc= 0.998 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.676 12.975 -5.575 1.00 39.32 N ATOM 2 CA GLY A 1 -29.539 14.175 -5.689 1.00 39.39 C ATOM 3 C GLY A 1 -29.742 14.846 -4.349 1.00 39.02 C ATOM 4 O GLY A 1 -30.026 14.173 -3.358 1.00 38.60 O ATOM 0 H1 GLY A 1 -28.559 12.541 -6.513 1.00 39.32 H new ATOM 0 H2 GLY A 1 -27.745 13.251 -5.203 1.00 39.32 H new ATOM 0 H3 GLY A 1 -29.118 12.290 -4.929 1.00 39.32 H new ATOM 0 HA2 GLY A 1 -29.089 14.882 -6.386 1.00 39.39 H new ATOM 0 HA3 GLY A 1 -30.506 13.890 -6.104 1.00 39.39 H new ATOM 10 N PRO A 2 -29.638 16.188 -4.294 1.00 39.23 N ATOM 11 CA PRO A 2 -29.687 16.949 -3.034 1.00 38.99 C ATOM 12 C PRO A 2 -31.073 16.942 -2.392 1.00 38.70 C ATOM 13 O PRO A 2 -31.238 17.343 -1.240 1.00 39.16 O ATOM 14 CB PRO A 2 -29.314 18.378 -3.457 1.00 39.44 C ATOM 15 CG PRO A 2 -28.815 18.273 -4.864 1.00 39.88 C ATOM 16 CD PRO A 2 -29.472 17.069 -5.456 1.00 39.77 C ATOM 0 HA PRO A 2 -29.022 16.518 -2.285 1.00 38.99 H new ATOM 0 HB2 PRO A 2 -30.177 19.041 -3.397 1.00 39.44 H new ATOM 0 HB3 PRO A 2 -28.548 18.792 -2.801 1.00 39.44 H new ATOM 0 HG2 PRO A 2 -29.063 19.170 -5.432 1.00 39.88 H new ATOM 0 HG3 PRO A 2 -27.730 18.173 -4.885 1.00 39.88 H new ATOM 0 HD2 PRO A 2 -30.428 17.315 -5.917 1.00 39.77 H new ATOM 0 HD3 PRO A 2 -28.855 16.609 -6.228 1.00 39.77 H new ATOM 24 N LEU A 3 -32.065 16.496 -3.144 1.00 37.99 N ATOM 25 CA LEU A 3 -33.437 16.487 -2.660 1.00 37.71 C ATOM 26 C LEU A 3 -33.752 15.187 -1.930 1.00 36.95 C ATOM 27 O LEU A 3 -34.736 15.106 -1.196 1.00 36.88 O ATOM 28 CB LEU A 3 -34.414 16.682 -3.819 1.00 37.68 C ATOM 29 CG LEU A 3 -34.240 17.981 -4.601 1.00 38.25 C ATOM 30 CD1 LEU A 3 -35.253 18.057 -5.727 1.00 38.55 C ATOM 31 CD2 LEU A 3 -34.382 19.181 -3.676 1.00 38.67 C ATOM 0 H LEU A 3 -31.947 16.136 -4.091 1.00 37.99 H new ATOM 0 HA LEU A 3 -33.548 17.313 -1.957 1.00 37.71 H new ATOM 0 HB2 LEU A 3 -34.308 15.844 -4.508 1.00 37.68 H new ATOM 0 HB3 LEU A 3 -35.430 16.645 -3.427 1.00 37.68 H new ATOM 0 HG LEU A 3 -33.239 17.995 -5.033 1.00 38.25 H new ATOM 0 HD11 LEU A 3 -35.117 18.989 -6.276 1.00 38.55 H new ATOM 0 HD12 LEU A 3 -35.110 17.213 -6.402 1.00 38.55 H new ATOM 0 HD13 LEU A 3 -36.261 18.024 -5.313 1.00 38.55 H new ATOM 0 HD21 LEU A 3 -34.255 20.099 -4.249 1.00 38.67 H new ATOM 0 HD22 LEU A 3 -35.371 19.173 -3.218 1.00 38.67 H new ATOM 0 HD23 LEU A 3 -33.621 19.132 -2.897 1.00 38.67 H new ATOM 43 N GLY A 4 -32.917 14.175 -2.131 1.00 36.42 N ATOM 44 CA GLY A 4 -33.153 12.893 -1.501 1.00 35.70 C ATOM 45 C GLY A 4 -34.004 11.988 -2.367 1.00 35.18 C ATOM 46 O GLY A 4 -34.928 11.340 -1.875 1.00 34.80 O ATOM 0 H GLY A 4 -32.084 14.220 -2.717 1.00 36.42 H new ATOM 0 HA2 GLY A 4 -32.199 12.408 -1.296 1.00 35.70 H new ATOM 0 HA3 GLY A 4 -33.646 13.045 -0.541 1.00 35.70 H new ATOM 50 N SER A 5 -33.665 11.945 -3.654 1.00 35.22 N ATOM 51 CA SER A 5 -34.385 11.155 -4.653 1.00 34.83 C ATOM 52 C SER A 5 -35.892 11.431 -4.632 1.00 34.57 C ATOM 53 O SER A 5 -36.665 10.725 -3.982 1.00 34.37 O ATOM 54 CB SER A 5 -34.084 9.655 -4.498 1.00 34.91 C ATOM 55 OG SER A 5 -34.401 9.173 -3.200 1.00 35.05 O ATOM 0 H SER A 5 -32.874 12.463 -4.037 1.00 35.22 H new ATOM 0 HA SER A 5 -34.022 11.468 -5.632 1.00 34.83 H new ATOM 0 HB2 SER A 5 -34.652 9.094 -5.240 1.00 34.91 H new ATOM 0 HB3 SER A 5 -33.028 9.475 -4.702 1.00 34.91 H new ATOM 0 HG SER A 5 -34.979 9.819 -2.743 1.00 35.05 H new ATOM 61 N THR A 6 -36.291 12.474 -5.344 1.00 34.64 N ATOM 62 CA THR A 6 -37.689 12.864 -5.425 1.00 34.51 C ATOM 63 C THR A 6 -38.368 12.188 -6.609 1.00 33.81 C ATOM 64 O THR A 6 -39.517 11.743 -6.516 1.00 33.44 O ATOM 65 CB THR A 6 -37.816 14.393 -5.567 1.00 34.85 C ATOM 66 OG1 THR A 6 -37.005 15.043 -4.577 1.00 35.00 O ATOM 67 CG2 THR A 6 -39.262 14.839 -5.407 1.00 35.32 C ATOM 0 H THR A 6 -35.659 13.070 -5.878 1.00 34.64 H new ATOM 0 HA THR A 6 -38.179 12.547 -4.505 1.00 34.51 H new ATOM 0 HB THR A 6 -37.475 14.670 -6.565 1.00 34.85 H new ATOM 0 HG1 THR A 6 -37.088 16.015 -4.673 1.00 35.00 H new ATOM 0 HG21 THR A 6 -39.322 15.922 -5.512 1.00 35.32 H new ATOM 0 HG22 THR A 6 -39.876 14.366 -6.173 1.00 35.32 H new ATOM 0 HG23 THR A 6 -39.625 14.549 -4.421 1.00 35.32 H new ATOM 75 N SER A 7 -37.648 12.105 -7.714 1.00 33.71 N ATOM 76 CA SER A 7 -38.172 11.495 -8.922 1.00 33.13 C ATOM 77 C SER A 7 -38.058 9.981 -8.834 1.00 32.43 C ATOM 78 O SER A 7 -36.984 9.412 -9.043 1.00 32.42 O ATOM 79 CB SER A 7 -37.429 12.022 -10.158 1.00 33.49 C ATOM 80 OG SER A 7 -38.044 11.585 -11.359 1.00 33.98 O ATOM 0 H SER A 7 -36.694 12.455 -7.799 1.00 33.71 H new ATOM 0 HA SER A 7 -39.225 11.760 -9.020 1.00 33.13 H new ATOM 0 HB2 SER A 7 -37.408 13.112 -10.134 1.00 33.49 H new ATOM 0 HB3 SER A 7 -36.393 11.683 -10.134 1.00 33.49 H new ATOM 0 HG SER A 7 -37.549 11.938 -12.127 1.00 33.98 H new ATOM 86 N LEU A 8 -39.167 9.340 -8.488 1.00 31.93 N ATOM 87 CA LEU A 8 -39.212 7.893 -8.358 1.00 31.32 C ATOM 88 C LEU A 8 -40.345 7.316 -9.209 1.00 30.56 C ATOM 89 O LEU A 8 -40.179 6.284 -9.862 1.00 30.33 O ATOM 90 CB LEU A 8 -39.400 7.496 -6.887 1.00 31.31 C ATOM 91 CG LEU A 8 -38.311 7.981 -5.923 1.00 32.11 C ATOM 92 CD1 LEU A 8 -38.673 7.624 -4.491 1.00 32.24 C ATOM 93 CD2 LEU A 8 -36.968 7.375 -6.295 1.00 32.31 C ATOM 0 H LEU A 8 -40.053 9.806 -8.291 1.00 31.93 H new ATOM 0 HA LEU A 8 -38.266 7.484 -8.713 1.00 31.32 H new ATOM 0 HB2 LEU A 8 -40.360 7.883 -6.545 1.00 31.31 H new ATOM 0 HB3 LEU A 8 -39.454 6.409 -6.827 1.00 31.31 H new ATOM 0 HG LEU A 8 -38.237 9.066 -6.002 1.00 32.11 H new ATOM 0 HD11 LEU A 8 -37.890 7.975 -3.819 1.00 32.24 H new ATOM 0 HD12 LEU A 8 -39.618 8.098 -4.226 1.00 32.24 H new ATOM 0 HD13 LEU A 8 -38.771 6.542 -4.399 1.00 32.24 H new ATOM 0 HD21 LEU A 8 -36.205 7.729 -5.602 1.00 32.31 H new ATOM 0 HD22 LEU A 8 -37.032 6.288 -6.241 1.00 32.31 H new ATOM 0 HD23 LEU A 8 -36.703 7.673 -7.309 1.00 32.31 H new ATOM 105 N VAL A 9 -41.495 7.987 -9.212 1.00 30.24 N ATOM 106 CA VAL A 9 -42.643 7.520 -9.980 1.00 29.57 C ATOM 107 C VAL A 9 -42.507 7.873 -11.465 1.00 29.50 C ATOM 108 O VAL A 9 -43.030 8.878 -11.946 1.00 29.74 O ATOM 109 CB VAL A 9 -43.986 8.050 -9.416 1.00 29.39 C ATOM 110 CG1 VAL A 9 -44.295 7.392 -8.079 1.00 28.95 C ATOM 111 CG2 VAL A 9 -43.968 9.561 -9.250 1.00 29.66 C ATOM 0 H VAL A 9 -41.655 8.851 -8.694 1.00 30.24 H new ATOM 0 HA VAL A 9 -42.655 6.434 -9.885 1.00 29.57 H new ATOM 0 HB VAL A 9 -44.765 7.797 -10.135 1.00 29.39 H new ATOM 0 HG11 VAL A 9 -45.241 7.774 -7.695 1.00 28.95 H new ATOM 0 HG12 VAL A 9 -44.367 6.313 -8.213 1.00 28.95 H new ATOM 0 HG13 VAL A 9 -43.498 7.617 -7.370 1.00 28.95 H new ATOM 0 HG21 VAL A 9 -44.927 9.895 -8.853 1.00 29.66 H new ATOM 0 HG22 VAL A 9 -43.172 9.842 -8.561 1.00 29.66 H new ATOM 0 HG23 VAL A 9 -43.793 10.031 -10.218 1.00 29.66 H new ATOM 121 N GLN A 10 -41.765 7.041 -12.182 1.00 29.28 N ATOM 122 CA GLN A 10 -41.577 7.214 -13.616 1.00 29.30 C ATOM 123 C GLN A 10 -42.701 6.525 -14.391 1.00 28.60 C ATOM 124 O GLN A 10 -43.015 6.899 -15.521 1.00 28.70 O ATOM 125 CB GLN A 10 -40.209 6.659 -14.025 1.00 29.33 C ATOM 126 CG GLN A 10 -39.942 6.687 -15.523 1.00 29.73 C ATOM 127 CD GLN A 10 -38.541 6.221 -15.863 1.00 30.01 C ATOM 128 OE1 GLN A 10 -38.301 5.024 -16.041 1.00 30.47 O ATOM 129 NE2 GLN A 10 -37.612 7.158 -15.987 1.00 29.80 N ATOM 0 H GLN A 10 -41.280 6.234 -11.791 1.00 29.28 H new ATOM 0 HA GLN A 10 -41.610 8.277 -13.856 1.00 29.30 H new ATOM 0 HB2 GLN A 10 -39.432 7.232 -13.519 1.00 29.33 H new ATOM 0 HB3 GLN A 10 -40.127 5.631 -13.673 1.00 29.33 H new ATOM 0 HG2 GLN A 10 -40.668 6.052 -16.032 1.00 29.73 H new ATOM 0 HG3 GLN A 10 -40.087 7.700 -15.897 1.00 29.73 H new ATOM 0 HE21 GLN A 10 -37.851 8.137 -15.831 1.00 29.80 H new ATOM 0 HE22 GLN A 10 -36.658 6.900 -16.238 1.00 29.80 H new ATOM 138 N GLY A 11 -43.312 5.520 -13.774 1.00 27.99 N ATOM 139 CA GLY A 11 -44.408 4.820 -14.404 1.00 27.37 C ATOM 140 C GLY A 11 -45.249 4.073 -13.400 1.00 27.00 C ATOM 141 O GLY A 11 -45.870 4.680 -12.531 1.00 26.96 O ATOM 0 H GLY A 11 -43.064 5.179 -12.845 1.00 27.99 H new ATOM 0 HA2 GLY A 11 -45.033 5.533 -14.942 1.00 27.37 H new ATOM 0 HA3 GLY A 11 -44.016 4.120 -15.142 1.00 27.37 H new ATOM 145 N LEU A 12 -45.247 2.755 -13.495 1.00 26.82 N ATOM 146 CA LEU A 12 -46.036 1.920 -12.616 1.00 26.55 C ATOM 147 C LEU A 12 -45.190 0.735 -12.190 1.00 25.80 C ATOM 148 O LEU A 12 -45.629 -0.414 -12.229 1.00 25.54 O ATOM 149 CB LEU A 12 -47.315 1.457 -13.328 1.00 27.23 C ATOM 150 CG LEU A 12 -47.112 0.877 -14.728 1.00 28.12 C ATOM 151 CD1 LEU A 12 -48.188 -0.153 -15.029 1.00 28.61 C ATOM 152 CD2 LEU A 12 -47.146 1.984 -15.773 1.00 28.64 C ATOM 0 H LEU A 12 -44.699 2.238 -14.182 1.00 26.82 H new ATOM 0 HA LEU A 12 -46.337 2.484 -11.733 1.00 26.55 H new ATOM 0 HB2 LEU A 12 -47.803 0.705 -12.709 1.00 27.23 H new ATOM 0 HB3 LEU A 12 -47.998 2.304 -13.399 1.00 27.23 H new ATOM 0 HG LEU A 12 -46.136 0.393 -14.763 1.00 28.12 H new ATOM 0 HD11 LEU A 12 -48.033 -0.559 -16.029 1.00 28.61 H new ATOM 0 HD12 LEU A 12 -48.135 -0.959 -14.297 1.00 28.61 H new ATOM 0 HD13 LEU A 12 -49.169 0.320 -14.977 1.00 28.61 H new ATOM 0 HD21 LEU A 12 -47.000 1.554 -16.764 1.00 28.64 H new ATOM 0 HD22 LEU A 12 -48.111 2.490 -15.736 1.00 28.64 H new ATOM 0 HD23 LEU A 12 -46.352 2.702 -15.569 1.00 28.64 H new ATOM 164 N THR A 13 -43.967 1.051 -11.775 1.00 25.53 N ATOM 165 CA THR A 13 -42.933 0.054 -11.540 1.00 24.91 C ATOM 166 C THR A 13 -42.480 -0.539 -12.875 1.00 24.79 C ATOM 167 O THR A 13 -42.992 -1.562 -13.317 1.00 24.22 O ATOM 168 CB THR A 13 -43.393 -1.059 -10.573 1.00 24.58 C ATOM 169 OG1 THR A 13 -43.921 -0.470 -9.374 1.00 24.93 O ATOM 170 CG2 THR A 13 -42.229 -1.978 -10.220 1.00 24.35 C ATOM 0 H THR A 13 -43.666 2.008 -11.592 1.00 25.53 H new ATOM 0 HA THR A 13 -42.093 0.554 -11.058 1.00 24.91 H new ATOM 0 HB THR A 13 -44.167 -1.648 -11.064 1.00 24.58 H new ATOM 0 HG1 THR A 13 -44.214 -1.178 -8.763 1.00 24.93 H new ATOM 0 HG21 THR A 13 -42.573 -2.755 -9.538 1.00 24.35 H new ATOM 0 HG22 THR A 13 -41.840 -2.438 -11.128 1.00 24.35 H new ATOM 0 HG23 THR A 13 -41.440 -1.398 -9.741 1.00 24.35 H new ATOM 178 N PRO A 14 -41.551 0.163 -13.554 1.00 25.42 N ATOM 179 CA PRO A 14 -41.035 -0.241 -14.874 1.00 25.50 C ATOM 180 C PRO A 14 -40.518 -1.690 -14.923 1.00 24.95 C ATOM 181 O PRO A 14 -40.865 -2.429 -15.849 1.00 24.63 O ATOM 182 CB PRO A 14 -39.913 0.770 -15.146 1.00 26.39 C ATOM 183 CG PRO A 14 -40.274 1.962 -14.326 1.00 26.81 C ATOM 184 CD PRO A 14 -40.937 1.423 -13.091 1.00 26.21 C ATOM 0 HA PRO A 14 -41.822 -0.232 -15.628 1.00 25.50 H new ATOM 0 HB2 PRO A 14 -38.941 0.370 -14.858 1.00 26.39 H new ATOM 0 HB3 PRO A 14 -39.853 1.021 -16.205 1.00 26.39 H new ATOM 0 HG2 PRO A 14 -39.389 2.545 -14.072 1.00 26.81 H new ATOM 0 HG3 PRO A 14 -40.945 2.624 -14.873 1.00 26.81 H new ATOM 0 HD2 PRO A 14 -40.217 1.249 -12.292 1.00 26.21 H new ATOM 0 HD3 PRO A 14 -41.684 2.115 -12.702 1.00 26.21 H new ATOM 192 N PRO A 15 -39.662 -2.127 -13.968 1.00 24.93 N ATOM 193 CA PRO A 15 -39.240 -3.510 -13.866 1.00 24.50 C ATOM 194 C PRO A 15 -39.884 -4.257 -12.690 1.00 23.52 C ATOM 195 O PRO A 15 -39.243 -4.448 -11.656 1.00 23.07 O ATOM 196 CB PRO A 15 -37.742 -3.349 -13.618 1.00 25.00 C ATOM 197 CG PRO A 15 -37.593 -2.015 -12.929 1.00 25.60 C ATOM 198 CD PRO A 15 -38.949 -1.337 -12.969 1.00 25.43 C ATOM 0 HA PRO A 15 -39.516 -4.095 -14.743 1.00 24.50 H new ATOM 0 HB2 PRO A 15 -37.357 -4.158 -12.997 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -37.184 -3.373 -14.554 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -37.260 -2.148 -11.900 1.00 25.60 H new ATOM 0 HG3 PRO A 15 -36.842 -1.404 -13.431 1.00 25.60 H new ATOM 0 HD2 PRO A 15 -39.446 -1.364 -11.999 1.00 25.43 H new ATOM 0 HD3 PRO A 15 -38.871 -0.289 -13.259 1.00 25.43 H new ATOM 206 N PRO A 16 -41.157 -4.676 -12.815 1.00 23.25 N ATOM 207 CA PRO A 16 -41.831 -5.463 -11.777 1.00 22.42 C ATOM 208 C PRO A 16 -41.421 -6.936 -11.807 1.00 22.03 C ATOM 209 O PRO A 16 -42.198 -7.813 -11.430 1.00 22.10 O ATOM 210 CB PRO A 16 -43.308 -5.317 -12.145 1.00 22.52 C ATOM 211 CG PRO A 16 -43.303 -5.168 -13.625 1.00 23.30 C ATOM 212 CD PRO A 16 -42.055 -4.397 -13.954 1.00 23.82 C ATOM 0 HA PRO A 16 -41.584 -5.119 -10.773 1.00 22.42 H new ATOM 0 HB2 PRO A 16 -43.884 -6.189 -11.835 1.00 22.52 H new ATOM 0 HB3 PRO A 16 -43.756 -4.450 -11.659 1.00 22.52 H new ATOM 0 HG2 PRO A 16 -43.303 -6.141 -14.116 1.00 23.30 H new ATOM 0 HG3 PRO A 16 -44.192 -4.638 -13.968 1.00 23.30 H new ATOM 0 HD2 PRO A 16 -41.619 -4.726 -14.897 1.00 23.82 H new ATOM 0 HD3 PRO A 16 -42.258 -3.330 -14.051 1.00 23.82 H new ATOM 220 N ASP A 17 -40.198 -7.202 -12.254 1.00 21.73 N ATOM 221 CA ASP A 17 -39.684 -8.565 -12.321 1.00 21.48 C ATOM 222 C ASP A 17 -39.447 -9.119 -10.929 1.00 20.70 C ATOM 223 O ASP A 17 -40.021 -10.142 -10.555 1.00 20.31 O ATOM 224 CB ASP A 17 -38.376 -8.624 -13.111 1.00 21.48 C ATOM 225 CG ASP A 17 -38.555 -8.319 -14.579 1.00 21.55 C ATOM 226 OD1 ASP A 17 -39.201 -9.120 -15.281 1.00 21.80 O ATOM 227 OD2 ASP A 17 -38.070 -7.264 -15.032 1.00 21.44 O ATOM 0 H ASP A 17 -39.543 -6.489 -12.576 1.00 21.73 H new ATOM 0 HA ASP A 17 -40.435 -9.170 -12.830 1.00 21.48 H new ATOM 0 HB2 ASP A 17 -37.668 -7.915 -12.683 1.00 21.48 H new ATOM 0 HB3 ASP A 17 -37.938 -9.616 -13.003 1.00 21.48 H new ATOM 232 N PHE A 18 -38.581 -8.441 -10.173 1.00 20.58 N ATOM 233 CA PHE A 18 -38.226 -8.858 -8.817 1.00 19.96 C ATOM 234 C PHE A 18 -37.564 -10.235 -8.843 1.00 19.47 C ATOM 235 O PHE A 18 -37.571 -10.967 -7.856 1.00 19.17 O ATOM 236 CB PHE A 18 -39.457 -8.857 -7.899 1.00 20.48 C ATOM 237 CG PHE A 18 -39.957 -7.474 -7.557 1.00 20.66 C ATOM 238 CD1 PHE A 18 -40.706 -6.749 -8.472 1.00 20.54 C ATOM 239 CD2 PHE A 18 -39.671 -6.899 -6.327 1.00 21.10 C ATOM 240 CE1 PHE A 18 -41.155 -5.478 -8.168 1.00 20.84 C ATOM 241 CE2 PHE A 18 -40.120 -5.631 -6.018 1.00 21.40 C ATOM 242 CZ PHE A 18 -40.894 -4.937 -6.912 1.00 21.27 C ATOM 0 H PHE A 18 -38.109 -7.592 -10.483 1.00 20.58 H new ATOM 0 HA PHE A 18 -37.513 -8.140 -8.413 1.00 19.96 H new ATOM 0 HB2 PHE A 18 -40.260 -9.415 -8.381 1.00 20.48 H new ATOM 0 HB3 PHE A 18 -39.212 -9.384 -6.977 1.00 20.48 H new ATOM 0 HD1 PHE A 18 -40.941 -7.183 -9.433 1.00 20.54 H new ATOM 0 HD2 PHE A 18 -39.090 -7.450 -5.603 1.00 21.10 H new ATOM 0 HE1 PHE A 18 -41.706 -4.907 -8.901 1.00 20.84 H new ATOM 0 HE2 PHE A 18 -39.861 -5.184 -5.069 1.00 21.40 H new ATOM 0 HZ PHE A 18 -41.300 -3.973 -6.643 1.00 21.27 H new ATOM 252 N ASN A 19 -36.957 -10.552 -9.979 1.00 19.51 N ATOM 253 CA ASN A 19 -36.310 -11.844 -10.179 1.00 19.22 C ATOM 254 C ASN A 19 -34.912 -11.845 -9.572 1.00 18.44 C ATOM 255 O ASN A 19 -34.379 -12.893 -9.216 1.00 18.17 O ATOM 256 CB ASN A 19 -36.235 -12.180 -11.678 1.00 19.70 C ATOM 257 CG ASN A 19 -35.452 -11.150 -12.481 1.00 20.22 C ATOM 258 OD1 ASN A 19 -35.412 -9.968 -12.139 1.00 20.50 O ATOM 259 ND2 ASN A 19 -34.832 -11.592 -13.561 1.00 20.47 N ATOM 0 H ASN A 19 -36.899 -9.927 -10.783 1.00 19.51 H new ATOM 0 HA ASN A 19 -36.907 -12.606 -9.677 1.00 19.22 H new ATOM 0 HB2 ASN A 19 -35.771 -13.158 -11.802 1.00 19.70 H new ATOM 0 HB3 ASN A 19 -37.246 -12.253 -12.079 1.00 19.70 H new ATOM 0 HD21 ASN A 19 -34.298 -10.946 -14.143 1.00 20.47 H new ATOM 0 HD22 ASN A 19 -34.888 -12.579 -13.813 1.00 20.47 H new ATOM 266 N GLN A 20 -34.327 -10.667 -9.454 1.00 18.18 N ATOM 267 CA GLN A 20 -33.004 -10.526 -8.868 1.00 17.53 C ATOM 268 C GLN A 20 -33.089 -9.878 -7.492 1.00 17.18 C ATOM 269 O GLN A 20 -33.074 -8.656 -7.354 1.00 16.92 O ATOM 270 CB GLN A 20 -32.073 -9.726 -9.794 1.00 17.65 C ATOM 271 CG GLN A 20 -32.666 -8.414 -10.289 1.00 18.17 C ATOM 272 CD GLN A 20 -31.704 -7.636 -11.158 1.00 18.45 C ATOM 273 OE1 GLN A 20 -30.941 -6.801 -10.675 1.00 18.40 O ATOM 274 NE2 GLN A 20 -31.734 -7.915 -12.445 1.00 18.86 N ATOM 0 H GLN A 20 -34.749 -9.789 -9.758 1.00 18.18 H new ATOM 0 HA GLN A 20 -32.581 -11.523 -8.748 1.00 17.53 H new ATOM 0 HB2 GLN A 20 -31.144 -9.515 -9.264 1.00 17.65 H new ATOM 0 HB3 GLN A 20 -31.816 -10.344 -10.655 1.00 17.65 H new ATOM 0 HG2 GLN A 20 -33.575 -8.620 -10.853 1.00 18.17 H new ATOM 0 HG3 GLN A 20 -32.953 -7.803 -9.433 1.00 18.17 H new ATOM 0 HE21 GLN A 20 -32.385 -8.616 -12.800 1.00 18.86 H new ATOM 0 HE22 GLN A 20 -31.107 -7.430 -13.087 1.00 18.86 H new ATOM 283 N CYS A 21 -33.181 -10.716 -6.470 1.00 17.29 N ATOM 284 CA CYS A 21 -33.286 -10.247 -5.091 1.00 17.13 C ATOM 285 C CYS A 21 -31.921 -9.824 -4.542 1.00 16.75 C ATOM 286 O CYS A 21 -31.543 -10.198 -3.431 1.00 16.28 O ATOM 287 CB CYS A 21 -33.895 -11.348 -4.217 1.00 16.85 C ATOM 288 SG CYS A 21 -35.480 -11.969 -4.825 1.00 17.55 S ATOM 0 H CYS A 21 -33.185 -11.731 -6.568 1.00 17.29 H new ATOM 0 HA CYS A 21 -33.935 -9.371 -5.074 1.00 17.13 H new ATOM 0 HB2 CYS A 21 -33.191 -12.178 -4.151 1.00 16.85 H new ATOM 0 HB3 CYS A 21 -34.030 -10.964 -3.206 1.00 16.85 H new ATOM 0 HG CYS A 21 -35.918 -12.897 -4.026 1.00 17.55 H new ATOM 294 N LEU A 22 -31.186 -9.047 -5.338 1.00 17.08 N ATOM 295 CA LEU A 22 -29.872 -8.524 -4.950 1.00 16.96 C ATOM 296 C LEU A 22 -28.885 -9.645 -4.626 1.00 16.12 C ATOM 297 O LEU A 22 -27.862 -9.414 -3.982 1.00 16.24 O ATOM 298 CB LEU A 22 -29.987 -7.568 -3.749 1.00 17.70 C ATOM 299 CG LEU A 22 -30.598 -6.187 -4.038 1.00 18.56 C ATOM 300 CD1 LEU A 22 -29.912 -5.536 -5.229 1.00 18.72 C ATOM 301 CD2 LEU A 22 -32.098 -6.281 -4.266 1.00 19.08 C ATOM 0 H LEU A 22 -31.483 -8.761 -6.271 1.00 17.08 H new ATOM 0 HA LEU A 22 -29.489 -7.971 -5.808 1.00 16.96 H new ATOM 0 HB2 LEU A 22 -30.587 -8.054 -2.980 1.00 17.70 H new ATOM 0 HB3 LEU A 22 -28.991 -7.422 -3.331 1.00 17.70 H new ATOM 0 HG LEU A 22 -30.435 -5.561 -3.161 1.00 18.56 H new ATOM 0 HD11 LEU A 22 -30.359 -4.560 -5.417 1.00 18.72 H new ATOM 0 HD12 LEU A 22 -28.850 -5.414 -5.015 1.00 18.72 H new ATOM 0 HD13 LEU A 22 -30.035 -6.167 -6.109 1.00 18.72 H new ATOM 0 HD21 LEU A 22 -32.498 -5.287 -4.468 1.00 19.08 H new ATOM 0 HD22 LEU A 22 -32.297 -6.932 -5.118 1.00 19.08 H new ATOM 0 HD23 LEU A 22 -32.576 -6.691 -3.377 1.00 19.08 H new ATOM 313 N LYS A 23 -29.166 -10.850 -5.098 1.00 15.37 N ATOM 314 CA LYS A 23 -28.308 -11.988 -4.808 1.00 14.61 C ATOM 315 C LYS A 23 -27.259 -12.178 -5.887 1.00 14.25 C ATOM 316 O LYS A 23 -26.903 -13.301 -6.223 1.00 13.68 O ATOM 317 CB LYS A 23 -29.153 -13.246 -4.658 1.00 14.14 C ATOM 318 CG LYS A 23 -30.406 -13.272 -5.522 1.00 14.53 C ATOM 319 CD LYS A 23 -30.165 -13.723 -6.955 1.00 14.23 C ATOM 320 CE LYS A 23 -29.547 -12.658 -7.850 1.00 14.39 C ATOM 321 NZ LYS A 23 -29.419 -13.134 -9.257 1.00 14.38 N ATOM 0 H LYS A 23 -29.976 -11.064 -5.680 1.00 15.37 H new ATOM 0 HA LYS A 23 -27.785 -11.793 -3.871 1.00 14.61 H new ATOM 0 HB2 LYS A 23 -28.539 -14.112 -4.905 1.00 14.14 H new ATOM 0 HB3 LYS A 23 -29.445 -13.350 -3.613 1.00 14.14 H new ATOM 0 HG2 LYS A 23 -31.138 -13.936 -5.062 1.00 14.53 H new ATOM 0 HG3 LYS A 23 -30.845 -12.275 -5.536 1.00 14.53 H new ATOM 0 HD2 LYS A 23 -29.512 -14.596 -6.944 1.00 14.23 H new ATOM 0 HD3 LYS A 23 -31.114 -14.040 -7.388 1.00 14.23 H new ATOM 0 HE2 LYS A 23 -30.161 -11.758 -7.824 1.00 14.39 H new ATOM 0 HE3 LYS A 23 -28.564 -12.384 -7.466 1.00 14.39 H new ATOM 0 HZ1 LYS A 23 -28.995 -12.384 -9.840 1.00 14.38 H new ATOM 0 HZ2 LYS A 23 -28.813 -13.979 -9.284 1.00 14.38 H new ATOM 0 HZ3 LYS A 23 -30.360 -13.371 -9.630 1.00 14.38 H new ATOM 335 N ASN A 24 -26.755 -11.072 -6.413 1.00 14.73 N ATOM 336 CA ASN A 24 -25.770 -11.112 -7.491 1.00 14.67 C ATOM 337 C ASN A 24 -24.398 -11.492 -6.939 1.00 13.87 C ATOM 338 O ASN A 24 -23.360 -11.243 -7.558 1.00 14.11 O ATOM 339 CB ASN A 24 -25.721 -9.761 -8.206 1.00 14.94 C ATOM 340 CG ASN A 24 -24.968 -9.810 -9.526 1.00 15.80 C ATOM 341 OD1 ASN A 24 -24.326 -8.839 -9.914 1.00 16.18 O ATOM 342 ND2 ASN A 24 -25.041 -10.938 -10.224 1.00 16.23 N ATOM 0 H ASN A 24 -27.011 -10.132 -6.112 1.00 14.73 H new ATOM 0 HA ASN A 24 -26.064 -11.871 -8.216 1.00 14.67 H new ATOM 0 HB2 ASN A 24 -26.739 -9.416 -8.388 1.00 14.94 H new ATOM 0 HB3 ASN A 24 -25.248 -9.028 -7.552 1.00 14.94 H new ATOM 0 HD21 ASN A 24 -24.553 -11.018 -11.116 1.00 16.23 H new ATOM 0 HD22 ASN A 24 -25.585 -11.724 -9.868 1.00 16.23 H new ATOM 349 N SER A 25 -24.430 -12.130 -5.775 1.00 13.05 N ATOM 350 CA SER A 25 -23.247 -12.597 -5.069 1.00 12.28 C ATOM 351 C SER A 25 -22.137 -11.542 -5.030 1.00 12.15 C ATOM 352 O SER A 25 -21.064 -11.733 -5.599 1.00 12.30 O ATOM 353 CB SER A 25 -22.753 -13.914 -5.686 1.00 12.37 C ATOM 354 OG SER A 25 -22.463 -13.776 -7.071 1.00 12.97 O ATOM 0 H SER A 25 -25.300 -12.341 -5.286 1.00 13.05 H new ATOM 0 HA SER A 25 -23.527 -12.780 -4.032 1.00 12.28 H new ATOM 0 HB2 SER A 25 -21.859 -14.248 -5.160 1.00 12.37 H new ATOM 0 HB3 SER A 25 -23.511 -14.686 -5.549 1.00 12.37 H new ATOM 0 HG SER A 25 -21.977 -12.939 -7.222 1.00 12.97 H new ATOM 360 N PRO A 26 -22.392 -10.391 -4.378 1.00 12.10 N ATOM 361 CA PRO A 26 -21.380 -9.345 -4.217 1.00 12.18 C ATOM 362 C PRO A 26 -20.263 -9.795 -3.290 1.00 11.48 C ATOM 363 O PRO A 26 -19.083 -9.616 -3.587 1.00 11.60 O ATOM 364 CB PRO A 26 -22.150 -8.170 -3.598 1.00 12.53 C ATOM 365 CG PRO A 26 -23.597 -8.511 -3.767 1.00 12.59 C ATOM 366 CD PRO A 26 -23.673 -10.010 -3.765 1.00 12.23 C ATOM 0 HA PRO A 26 -20.901 -9.089 -5.162 1.00 12.18 H new ATOM 0 HB2 PRO A 26 -21.896 -8.045 -2.545 1.00 12.53 H new ATOM 0 HB3 PRO A 26 -21.906 -7.233 -4.098 1.00 12.53 H new ATOM 0 HG2 PRO A 26 -24.194 -8.089 -2.958 1.00 12.59 H new ATOM 0 HG3 PRO A 26 -23.988 -8.102 -4.699 1.00 12.59 H new ATOM 0 HD2 PRO A 26 -23.776 -10.410 -2.756 1.00 12.23 H new ATOM 0 HD3 PRO A 26 -24.524 -10.375 -4.341 1.00 12.23 H new ATOM 374 N ASP A 27 -20.646 -10.394 -2.169 1.00 10.92 N ATOM 375 CA ASP A 27 -19.686 -10.926 -1.218 1.00 10.34 C ATOM 376 C ASP A 27 -20.299 -12.067 -0.431 1.00 9.92 C ATOM 377 O ASP A 27 -21.299 -11.884 0.266 1.00 10.16 O ATOM 378 CB ASP A 27 -19.212 -9.845 -0.246 1.00 10.24 C ATOM 379 CG ASP A 27 -18.428 -10.432 0.915 1.00 10.06 C ATOM 380 OD1 ASP A 27 -17.301 -10.916 0.690 1.00 10.17 O ATOM 381 OD2 ASP A 27 -18.946 -10.423 2.051 1.00 9.96 O ATOM 0 H ASP A 27 -21.621 -10.522 -1.898 1.00 10.92 H new ATOM 0 HA ASP A 27 -18.829 -11.289 -1.785 1.00 10.34 H new ATOM 0 HB2 ASP A 27 -18.589 -9.126 -0.778 1.00 10.24 H new ATOM 0 HB3 ASP A 27 -20.074 -9.298 0.137 1.00 10.24 H new ATOM 386 N GLU A 28 -19.720 -13.243 -0.565 1.00 9.51 N ATOM 387 CA GLU A 28 -20.149 -14.387 0.215 1.00 9.33 C ATOM 388 C GLU A 28 -18.948 -15.238 0.603 1.00 8.90 C ATOM 389 O GLU A 28 -19.062 -16.445 0.810 1.00 9.13 O ATOM 390 CB GLU A 28 -21.195 -15.207 -0.553 1.00 10.13 C ATOM 391 CG GLU A 28 -20.828 -15.488 -1.999 1.00 10.77 C ATOM 392 CD GLU A 28 -21.885 -16.290 -2.725 1.00 11.21 C ATOM 393 OE1 GLU A 28 -22.996 -15.762 -2.948 1.00 11.40 O ATOM 394 OE2 GLU A 28 -21.606 -17.449 -3.090 1.00 11.54 O ATOM 0 H GLU A 28 -18.950 -13.432 -1.207 1.00 9.51 H new ATOM 0 HA GLU A 28 -20.621 -14.032 1.131 1.00 9.33 H new ATOM 0 HB2 GLU A 28 -21.346 -16.155 -0.038 1.00 10.13 H new ATOM 0 HB3 GLU A 28 -22.146 -14.675 -0.528 1.00 10.13 H new ATOM 0 HG2 GLU A 28 -20.673 -14.543 -2.520 1.00 10.77 H new ATOM 0 HG3 GLU A 28 -19.882 -16.029 -2.031 1.00 10.77 H new ATOM 401 N LYS A 29 -17.792 -14.588 0.730 1.00 8.50 N ATOM 402 CA LYS A 29 -16.588 -15.272 1.179 1.00 8.24 C ATOM 403 C LYS A 29 -16.575 -15.366 2.698 1.00 7.81 C ATOM 404 O LYS A 29 -15.751 -16.076 3.269 1.00 7.74 O ATOM 405 CB LYS A 29 -15.312 -14.553 0.709 1.00 8.29 C ATOM 406 CG LYS A 29 -15.154 -14.444 -0.803 1.00 8.34 C ATOM 407 CD LYS A 29 -15.701 -13.129 -1.336 1.00 8.62 C ATOM 408 CE LYS A 29 -14.899 -11.956 -0.812 1.00 8.72 C ATOM 409 NZ LYS A 29 -15.459 -10.650 -1.246 1.00 9.11 N ATOM 0 H LYS A 29 -17.667 -13.596 0.529 1.00 8.50 H new ATOM 0 HA LYS A 29 -16.601 -16.270 0.741 1.00 8.24 H new ATOM 0 HB2 LYS A 29 -15.301 -13.549 1.134 1.00 8.29 H new ATOM 0 HB3 LYS A 29 -14.447 -15.079 1.113 1.00 8.29 H new ATOM 0 HG2 LYS A 29 -14.100 -14.532 -1.065 1.00 8.34 H new ATOM 0 HG3 LYS A 29 -15.672 -15.274 -1.283 1.00 8.34 H new ATOM 0 HD2 LYS A 29 -15.674 -13.135 -2.426 1.00 8.62 H new ATOM 0 HD3 LYS A 29 -16.745 -13.020 -1.043 1.00 8.62 H new ATOM 0 HE2 LYS A 29 -14.874 -11.994 0.277 1.00 8.72 H new ATOM 0 HE3 LYS A 29 -13.869 -12.040 -1.158 1.00 8.72 H new ATOM 0 HZ1 LYS A 29 -14.805 -9.886 -0.980 1.00 9.11 H new ATOM 0 HZ2 LYS A 29 -15.586 -10.653 -2.278 1.00 9.11 H new ATOM 0 HZ3 LYS A 29 -16.378 -10.496 -0.784 1.00 9.11 H new ATOM 423 N PHE A 30 -17.484 -14.618 3.339 1.00 7.78 N ATOM 424 CA PHE A 30 -17.588 -14.543 4.803 1.00 7.70 C ATOM 425 C PHE A 30 -16.421 -13.763 5.408 1.00 7.44 C ATOM 426 O PHE A 30 -16.606 -12.953 6.315 1.00 7.61 O ATOM 427 CB PHE A 30 -17.673 -15.941 5.438 1.00 7.98 C ATOM 428 CG PHE A 30 -18.901 -16.719 5.049 1.00 8.78 C ATOM 429 CD1 PHE A 30 -20.115 -16.482 5.674 1.00 9.03 C ATOM 430 CD2 PHE A 30 -18.836 -17.682 4.056 1.00 9.49 C ATOM 431 CE1 PHE A 30 -21.246 -17.194 5.317 1.00 9.98 C ATOM 432 CE2 PHE A 30 -19.963 -18.398 3.696 1.00 10.39 C ATOM 433 CZ PHE A 30 -21.167 -18.157 4.330 1.00 10.64 C ATOM 0 H PHE A 30 -18.173 -14.044 2.853 1.00 7.78 H new ATOM 0 HA PHE A 30 -18.512 -14.009 5.025 1.00 7.70 H new ATOM 0 HB2 PHE A 30 -16.789 -16.512 5.153 1.00 7.98 H new ATOM 0 HB3 PHE A 30 -17.650 -15.838 6.523 1.00 7.98 H new ATOM 0 HD1 PHE A 30 -20.179 -15.733 6.449 1.00 9.03 H new ATOM 0 HD2 PHE A 30 -17.897 -17.876 3.558 1.00 9.49 H new ATOM 0 HE1 PHE A 30 -22.188 -16.998 5.808 1.00 9.98 H new ATOM 0 HE2 PHE A 30 -19.902 -19.146 2.919 1.00 10.39 H new ATOM 0 HZ PHE A 30 -22.046 -18.721 4.054 1.00 10.64 H new ATOM 443 N PHE A 31 -15.227 -14.007 4.897 1.00 7.30 N ATOM 444 CA PHE A 31 -14.020 -13.346 5.376 1.00 7.33 C ATOM 445 C PHE A 31 -13.843 -11.968 4.749 1.00 7.51 C ATOM 446 O PHE A 31 -12.874 -11.276 5.049 1.00 7.81 O ATOM 447 CB PHE A 31 -12.802 -14.217 5.067 1.00 7.36 C ATOM 448 CG PHE A 31 -12.761 -15.489 5.867 1.00 7.57 C ATOM 449 CD1 PHE A 31 -12.202 -15.505 7.133 1.00 7.70 C ATOM 450 CD2 PHE A 31 -13.277 -16.664 5.353 1.00 7.97 C ATOM 451 CE1 PHE A 31 -12.155 -16.670 7.874 1.00 8.21 C ATOM 452 CE2 PHE A 31 -13.235 -17.837 6.088 1.00 8.50 C ATOM 453 CZ PHE A 31 -12.698 -17.843 7.346 1.00 8.62 C ATOM 0 H PHE A 31 -15.064 -14.669 4.138 1.00 7.30 H new ATOM 0 HA PHE A 31 -14.117 -13.210 6.453 1.00 7.33 H new ATOM 0 HB2 PHE A 31 -12.801 -14.464 4.005 1.00 7.36 H new ATOM 0 HB3 PHE A 31 -11.896 -13.644 5.262 1.00 7.36 H new ATOM 0 HD1 PHE A 31 -11.797 -14.594 7.548 1.00 7.70 H new ATOM 0 HD2 PHE A 31 -13.718 -16.667 4.367 1.00 7.97 H new ATOM 0 HE1 PHE A 31 -11.702 -16.673 8.854 1.00 8.21 H new ATOM 0 HE2 PHE A 31 -13.628 -18.750 5.666 1.00 8.50 H new ATOM 0 HZ PHE A 31 -12.694 -18.752 7.929 1.00 8.62 H new ATOM 463 N SER A 32 -14.772 -11.588 3.872 1.00 7.60 N ATOM 464 CA SER A 32 -14.726 -10.300 3.165 1.00 8.12 C ATOM 465 C SER A 32 -13.625 -10.315 2.097 1.00 8.57 C ATOM 466 O SER A 32 -13.838 -9.875 0.969 1.00 9.15 O ATOM 467 CB SER A 32 -14.536 -9.141 4.153 1.00 8.65 C ATOM 468 OG SER A 32 -14.745 -7.889 3.527 1.00 9.33 O ATOM 0 H SER A 32 -15.580 -12.162 3.629 1.00 7.60 H new ATOM 0 HA SER A 32 -15.680 -10.146 2.661 1.00 8.12 H new ATOM 0 HB2 SER A 32 -15.230 -9.253 4.986 1.00 8.65 H new ATOM 0 HB3 SER A 32 -13.530 -9.178 4.570 1.00 8.65 H new ATOM 0 HG SER A 32 -14.618 -7.171 4.182 1.00 9.33 H new ATOM 474 N ASP A 33 -12.461 -10.830 2.466 1.00 8.53 N ATOM 475 CA ASP A 33 -11.384 -11.125 1.524 1.00 9.12 C ATOM 476 C ASP A 33 -10.291 -11.899 2.234 1.00 9.48 C ATOM 477 O ASP A 33 -10.178 -13.111 2.061 1.00 10.03 O ATOM 478 CB ASP A 33 -10.778 -9.864 0.895 1.00 9.83 C ATOM 479 CG ASP A 33 -9.817 -10.191 -0.235 1.00 10.39 C ATOM 480 OD1 ASP A 33 -10.277 -10.326 -1.385 1.00 10.68 O ATOM 481 OD2 ASP A 33 -8.599 -10.323 0.021 1.00 10.73 O ATOM 0 H ASP A 33 -12.233 -11.058 3.434 1.00 8.53 H new ATOM 0 HA ASP A 33 -11.819 -11.714 0.717 1.00 9.12 H new ATOM 0 HB2 ASP A 33 -11.578 -9.228 0.516 1.00 9.83 H new ATOM 0 HB3 ASP A 33 -10.254 -9.294 1.662 1.00 9.83 H new ATOM 486 N PHE A 34 -9.531 -11.190 3.075 1.00 9.37 N ATOM 487 CA PHE A 34 -8.368 -11.742 3.749 1.00 9.94 C ATOM 488 C PHE A 34 -7.523 -12.571 2.796 1.00 9.93 C ATOM 489 O PHE A 34 -7.615 -13.797 2.778 1.00 10.33 O ATOM 490 CB PHE A 34 -8.761 -12.570 4.977 1.00 9.89 C ATOM 491 CG PHE A 34 -9.322 -11.742 6.103 1.00 10.10 C ATOM 492 CD1 PHE A 34 -8.670 -10.599 6.545 1.00 10.53 C ATOM 493 CD2 PHE A 34 -10.509 -12.109 6.715 1.00 10.09 C ATOM 494 CE1 PHE A 34 -9.196 -9.840 7.575 1.00 10.95 C ATOM 495 CE2 PHE A 34 -11.039 -11.354 7.744 1.00 10.50 C ATOM 496 CZ PHE A 34 -10.384 -10.219 8.174 1.00 10.92 C ATOM 0 H PHE A 34 -9.713 -10.213 3.303 1.00 9.37 H new ATOM 0 HA PHE A 34 -7.770 -10.899 4.095 1.00 9.94 H new ATOM 0 HB2 PHE A 34 -9.499 -13.316 4.682 1.00 9.89 H new ATOM 0 HB3 PHE A 34 -7.886 -13.112 5.336 1.00 9.89 H new ATOM 0 HD1 PHE A 34 -7.743 -10.299 6.080 1.00 10.53 H new ATOM 0 HD2 PHE A 34 -11.027 -12.997 6.384 1.00 10.09 H new ATOM 0 HE1 PHE A 34 -8.680 -8.953 7.911 1.00 10.95 H new ATOM 0 HE2 PHE A 34 -11.966 -11.653 8.211 1.00 10.50 H new ATOM 0 HZ PHE A 34 -10.798 -9.627 8.977 1.00 10.92 H new ATOM 506 N SER A 35 -6.707 -11.891 1.995 1.00 9.65 N ATOM 507 CA SER A 35 -5.788 -12.559 1.079 1.00 9.74 C ATOM 508 C SER A 35 -4.813 -13.437 1.853 1.00 9.44 C ATOM 509 O SER A 35 -4.119 -14.284 1.288 1.00 9.50 O ATOM 510 CB SER A 35 -5.019 -11.515 0.289 1.00 10.04 C ATOM 511 OG SER A 35 -5.869 -10.453 -0.126 1.00 10.16 O ATOM 0 H SER A 35 -6.664 -10.872 1.962 1.00 9.65 H new ATOM 0 HA SER A 35 -6.360 -13.189 0.398 1.00 9.74 H new ATOM 0 HB2 SER A 35 -4.208 -11.118 0.900 1.00 10.04 H new ATOM 0 HB3 SER A 35 -4.562 -11.980 -0.584 1.00 10.04 H new ATOM 0 HG SER A 35 -6.803 -10.746 -0.084 1.00 10.16 H new ATOM 517 N ASN A 36 -4.769 -13.206 3.152 1.00 9.30 N ATOM 518 CA ASN A 36 -3.972 -14.010 4.062 1.00 9.24 C ATOM 519 C ASN A 36 -4.605 -15.377 4.262 1.00 8.77 C ATOM 520 O ASN A 36 -3.915 -16.344 4.563 1.00 8.94 O ATOM 521 CB ASN A 36 -3.832 -13.297 5.409 1.00 9.46 C ATOM 522 CG ASN A 36 -2.787 -12.197 5.377 1.00 10.11 C ATOM 523 OD1 ASN A 36 -2.570 -11.560 4.351 1.00 10.51 O ATOM 524 ND2 ASN A 36 -2.108 -11.989 6.494 1.00 10.41 N ATOM 0 H ASN A 36 -5.286 -12.454 3.608 1.00 9.30 H new ATOM 0 HA ASN A 36 -2.982 -14.146 3.626 1.00 9.24 H new ATOM 0 HB2 ASN A 36 -4.794 -12.872 5.693 1.00 9.46 H new ATOM 0 HB3 ASN A 36 -3.566 -14.024 6.176 1.00 9.46 H new ATOM 0 HD21 ASN A 36 -1.376 -11.279 6.521 1.00 10.41 H new ATOM 0 HD22 ASN A 36 -2.317 -12.539 7.328 1.00 10.41 H new ATOM 531 N ASN A 37 -5.933 -15.421 4.094 1.00 8.43 N ATOM 532 CA ASN A 37 -6.753 -16.634 4.260 1.00 8.29 C ATOM 533 C ASN A 37 -6.384 -17.448 5.504 1.00 7.88 C ATOM 534 O ASN A 37 -6.677 -18.639 5.598 1.00 7.92 O ATOM 535 CB ASN A 37 -6.715 -17.518 2.998 1.00 8.59 C ATOM 536 CG ASN A 37 -5.378 -18.207 2.749 1.00 9.45 C ATOM 537 OD1 ASN A 37 -4.507 -17.669 2.072 1.00 9.82 O ATOM 538 ND2 ASN A 37 -5.221 -19.417 3.267 1.00 10.00 N ATOM 0 H ASN A 37 -6.480 -14.601 3.834 1.00 8.43 H new ATOM 0 HA ASN A 37 -7.775 -16.284 4.408 1.00 8.29 H new ATOM 0 HB2 ASN A 37 -7.492 -18.278 3.079 1.00 8.59 H new ATOM 0 HB3 ASN A 37 -6.960 -16.903 2.132 1.00 8.59 H new ATOM 0 HD21 ASN A 37 -4.355 -19.931 3.108 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -5.966 -19.834 3.825 1.00 10.00 H new ATOM 545 N MET A 38 -5.800 -16.773 6.488 1.00 7.75 N ATOM 546 CA MET A 38 -5.369 -17.415 7.728 1.00 7.70 C ATOM 547 C MET A 38 -6.515 -17.517 8.730 1.00 7.11 C ATOM 548 O MET A 38 -6.291 -17.512 9.940 1.00 7.09 O ATOM 549 CB MET A 38 -4.215 -16.623 8.349 1.00 8.48 C ATOM 550 CG MET A 38 -2.994 -16.524 7.450 1.00 9.45 C ATOM 551 SD MET A 38 -1.704 -15.468 8.140 1.00 10.41 S ATOM 552 CE MET A 38 -1.248 -16.406 9.597 1.00 10.82 C ATOM 0 H MET A 38 -5.612 -15.771 6.451 1.00 7.75 H new ATOM 0 HA MET A 38 -5.037 -18.425 7.485 1.00 7.70 H new ATOM 0 HB2 MET A 38 -4.562 -15.618 8.589 1.00 8.48 H new ATOM 0 HB3 MET A 38 -3.927 -17.093 9.289 1.00 8.48 H new ATOM 0 HG2 MET A 38 -2.590 -17.522 7.283 1.00 9.45 H new ATOM 0 HG3 MET A 38 -3.295 -16.135 6.477 1.00 9.45 H new ATOM 0 HE1 MET A 38 -0.345 -15.981 10.035 1.00 10.82 H new ATOM 0 HE2 MET A 38 -2.059 -16.365 10.324 1.00 10.82 H new ATOM 0 HE3 MET A 38 -1.062 -17.443 9.319 1.00 10.82 H new ATOM 562 N GLY A 39 -7.734 -17.632 8.222 1.00 6.94 N ATOM 563 CA GLY A 39 -8.890 -17.757 9.088 1.00 6.72 C ATOM 564 C GLY A 39 -9.185 -16.490 9.860 1.00 6.82 C ATOM 565 O GLY A 39 -9.676 -16.548 10.988 1.00 7.22 O ATOM 0 H GLY A 39 -7.944 -17.641 7.224 1.00 6.94 H new ATOM 0 HA2 GLY A 39 -9.761 -18.022 8.488 1.00 6.72 H new ATOM 0 HA3 GLY A 39 -8.726 -18.575 9.790 1.00 6.72 H new ATOM 569 N SER A 40 -8.867 -15.349 9.248 1.00 6.70 N ATOM 570 CA SER A 40 -9.112 -14.026 9.843 1.00 7.03 C ATOM 571 C SER A 40 -8.141 -13.708 10.978 1.00 6.75 C ATOM 572 O SER A 40 -7.537 -12.634 10.996 1.00 7.15 O ATOM 573 CB SER A 40 -10.553 -13.904 10.358 1.00 7.71 C ATOM 574 OG SER A 40 -10.748 -12.682 11.044 1.00 7.71 O ATOM 0 H SER A 40 -8.432 -15.311 8.326 1.00 6.70 H new ATOM 0 HA SER A 40 -8.951 -13.302 9.045 1.00 7.03 H new ATOM 0 HB2 SER A 40 -11.248 -13.969 9.521 1.00 7.71 H new ATOM 0 HB3 SER A 40 -10.776 -14.738 11.024 1.00 7.71 H new ATOM 0 HG SER A 40 -10.867 -11.958 10.395 1.00 7.71 H new ATOM 580 N ARG A 41 -7.999 -14.656 11.902 1.00 6.32 N ATOM 581 CA ARG A 41 -7.276 -14.460 13.162 1.00 6.15 C ATOM 582 C ARG A 41 -8.127 -13.645 14.131 1.00 6.66 C ATOM 583 O ARG A 41 -7.638 -13.164 15.152 1.00 6.86 O ATOM 584 CB ARG A 41 -5.901 -13.813 12.945 1.00 5.64 C ATOM 585 CG ARG A 41 -4.931 -14.702 12.176 1.00 5.83 C ATOM 586 CD ARG A 41 -3.699 -13.932 11.721 1.00 6.30 C ATOM 587 NE ARG A 41 -2.869 -13.477 12.835 1.00 6.60 N ATOM 588 CZ ARG A 41 -1.698 -12.858 12.684 1.00 7.29 C ATOM 589 NH1 ARG A 41 -1.217 -12.633 11.470 1.00 7.72 N ATOM 590 NH2 ARG A 41 -1.014 -12.456 13.745 1.00 7.82 N ATOM 0 H ARG A 41 -8.386 -15.594 11.798 1.00 6.32 H new ATOM 0 HA ARG A 41 -7.091 -15.441 13.599 1.00 6.15 H new ATOM 0 HB2 ARG A 41 -6.030 -12.875 12.405 1.00 5.64 H new ATOM 0 HB3 ARG A 41 -5.467 -13.566 13.914 1.00 5.64 H new ATOM 0 HG2 ARG A 41 -4.626 -15.537 12.806 1.00 5.83 H new ATOM 0 HG3 ARG A 41 -5.436 -15.126 11.308 1.00 5.83 H new ATOM 0 HD2 ARG A 41 -3.102 -14.566 11.065 1.00 6.30 H new ATOM 0 HD3 ARG A 41 -4.012 -13.070 11.132 1.00 6.30 H new ATOM 0 HE ARG A 41 -3.206 -13.643 13.783 1.00 6.60 H new ATOM 0 HH11 ARG A 41 -1.743 -12.934 10.649 1.00 7.72 H new ATOM 0 HH12 ARG A 41 -0.321 -12.159 11.356 1.00 7.72 H new ATOM 0 HH21 ARG A 41 -1.383 -12.620 14.682 1.00 7.82 H new ATOM 0 HH22 ARG A 41 -0.118 -11.983 13.625 1.00 7.82 H new ATOM 604 N LYS A 42 -9.414 -13.520 13.787 1.00 7.18 N ATOM 605 CA LYS A 42 -10.435 -12.947 14.670 1.00 7.95 C ATOM 606 C LYS A 42 -10.219 -11.451 14.888 1.00 7.64 C ATOM 607 O LYS A 42 -10.618 -10.903 15.916 1.00 7.95 O ATOM 608 CB LYS A 42 -10.467 -13.698 16.009 1.00 8.85 C ATOM 609 CG LYS A 42 -10.688 -15.198 15.855 1.00 9.40 C ATOM 610 CD LYS A 42 -11.857 -15.499 14.931 1.00 8.95 C ATOM 611 CE LYS A 42 -12.150 -16.986 14.848 1.00 9.61 C ATOM 612 NZ LYS A 42 -12.620 -17.539 16.145 1.00 9.98 N ATOM 0 H LYS A 42 -9.778 -13.816 12.881 1.00 7.18 H new ATOM 0 HA LYS A 42 -11.402 -13.065 14.181 1.00 7.95 H new ATOM 0 HB2 LYS A 42 -9.527 -13.529 16.535 1.00 8.85 H new ATOM 0 HB3 LYS A 42 -11.260 -13.283 16.631 1.00 8.85 H new ATOM 0 HG2 LYS A 42 -9.783 -15.661 15.461 1.00 9.40 H new ATOM 0 HG3 LYS A 42 -10.873 -15.642 16.833 1.00 9.40 H new ATOM 0 HD2 LYS A 42 -12.744 -14.974 15.286 1.00 8.95 H new ATOM 0 HD3 LYS A 42 -11.638 -15.117 13.934 1.00 8.95 H new ATOM 0 HE2 LYS A 42 -12.907 -17.163 14.084 1.00 9.61 H new ATOM 0 HE3 LYS A 42 -11.250 -17.515 14.534 1.00 9.61 H new ATOM 0 HZ1 LYS A 42 -12.999 -18.496 15.997 1.00 9.98 H new ATOM 0 HZ2 LYS A 42 -11.824 -17.581 16.813 1.00 9.98 H new ATOM 0 HZ3 LYS A 42 -13.366 -16.928 16.533 1.00 9.98 H new ATOM 626 N ASN A 43 -9.629 -10.799 13.885 1.00 7.18 N ATOM 627 CA ASN A 43 -9.371 -9.356 13.920 1.00 6.90 C ATOM 628 C ASN A 43 -8.517 -8.974 15.128 1.00 6.59 C ATOM 629 O ASN A 43 -9.034 -8.597 16.183 1.00 7.32 O ATOM 630 CB ASN A 43 -10.680 -8.556 13.926 1.00 7.86 C ATOM 631 CG ASN A 43 -11.401 -8.557 12.589 1.00 7.89 C ATOM 632 OD1 ASN A 43 -11.278 -9.490 11.795 1.00 7.84 O ATOM 633 ND2 ASN A 43 -12.168 -7.506 12.336 1.00 8.26 N ATOM 0 H ASN A 43 -9.317 -11.254 13.027 1.00 7.18 H new ATOM 0 HA ASN A 43 -8.818 -9.106 13.014 1.00 6.90 H new ATOM 0 HB2 ASN A 43 -11.343 -8.967 14.687 1.00 7.86 H new ATOM 0 HB3 ASN A 43 -10.465 -7.526 14.212 1.00 7.86 H new ATOM 0 HD21 ASN A 43 -12.683 -7.450 11.457 1.00 8.26 H new ATOM 0 HD22 ASN A 43 -12.243 -6.753 13.020 1.00 8.26 H new ATOM 640 N PRO A 44 -7.187 -9.075 14.991 1.00 5.79 N ATOM 641 CA PRO A 44 -6.247 -8.745 16.068 1.00 5.83 C ATOM 642 C PRO A 44 -6.033 -7.236 16.211 1.00 5.83 C ATOM 643 O PRO A 44 -4.896 -6.766 16.235 1.00 6.26 O ATOM 644 CB PRO A 44 -4.960 -9.437 15.612 1.00 5.35 C ATOM 645 CG PRO A 44 -5.033 -9.429 14.118 1.00 4.82 C ATOM 646 CD PRO A 44 -6.495 -9.531 13.769 1.00 5.18 C ATOM 0 HA PRO A 44 -6.602 -9.067 17.047 1.00 5.83 H new ATOM 0 HB2 PRO A 44 -4.077 -8.906 15.968 1.00 5.35 H new ATOM 0 HB3 PRO A 44 -4.898 -10.454 16.000 1.00 5.35 H new ATOM 0 HG2 PRO A 44 -4.598 -8.516 13.712 1.00 4.82 H new ATOM 0 HG3 PRO A 44 -4.473 -10.263 13.696 1.00 4.82 H new ATOM 0 HD2 PRO A 44 -6.745 -8.906 12.912 1.00 5.18 H new ATOM 0 HD3 PRO A 44 -6.773 -10.553 13.510 1.00 5.18 H new ATOM 654 N ASP A 45 -7.144 -6.503 16.325 1.00 5.59 N ATOM 655 CA ASP A 45 -7.149 -5.032 16.417 1.00 5.67 C ATOM 656 C ASP A 45 -6.819 -4.397 15.070 1.00 5.46 C ATOM 657 O ASP A 45 -5.973 -4.892 14.326 1.00 5.44 O ATOM 658 CB ASP A 45 -6.167 -4.519 17.482 1.00 6.26 C ATOM 659 CG ASP A 45 -6.828 -3.608 18.503 1.00 6.73 C ATOM 660 OD1 ASP A 45 -6.979 -2.399 18.209 1.00 7.06 O ATOM 661 OD2 ASP A 45 -7.218 -4.088 19.591 1.00 6.98 O ATOM 0 H ASP A 45 -8.077 -6.914 16.357 1.00 5.59 H new ATOM 0 HA ASP A 45 -8.157 -4.741 16.713 1.00 5.67 H new ATOM 0 HB2 ASP A 45 -5.720 -5.369 17.997 1.00 6.26 H new ATOM 0 HB3 ASP A 45 -5.356 -3.980 16.992 1.00 6.26 H new ATOM 666 N PRO A 46 -7.483 -3.282 14.733 1.00 5.77 N ATOM 667 CA PRO A 46 -7.244 -2.563 13.486 1.00 6.07 C ATOM 668 C PRO A 46 -6.112 -1.551 13.627 1.00 6.28 C ATOM 669 O PRO A 46 -6.161 -0.457 13.059 1.00 6.83 O ATOM 670 CB PRO A 46 -8.581 -1.866 13.250 1.00 6.80 C ATOM 671 CG PRO A 46 -9.127 -1.601 14.613 1.00 6.93 C ATOM 672 CD PRO A 46 -8.519 -2.623 15.543 1.00 6.33 C ATOM 0 HA PRO A 46 -6.936 -3.212 12.666 1.00 6.07 H new ATOM 0 HB2 PRO A 46 -8.449 -0.940 12.691 1.00 6.80 H new ATOM 0 HB3 PRO A 46 -9.257 -2.495 12.670 1.00 6.80 H new ATOM 0 HG2 PRO A 46 -8.879 -0.590 14.937 1.00 6.93 H new ATOM 0 HG3 PRO A 46 -10.214 -1.678 14.614 1.00 6.93 H new ATOM 0 HD2 PRO A 46 -8.092 -2.151 16.428 1.00 6.33 H new ATOM 0 HD3 PRO A 46 -9.265 -3.337 15.892 1.00 6.33 H new ATOM 680 N LEU A 47 -5.095 -1.951 14.389 1.00 6.19 N ATOM 681 CA LEU A 47 -3.906 -1.141 14.655 1.00 6.74 C ATOM 682 C LEU A 47 -4.254 0.054 15.536 1.00 6.79 C ATOM 683 O LEU A 47 -3.880 0.099 16.708 1.00 7.54 O ATOM 684 CB LEU A 47 -3.249 -0.677 13.348 1.00 7.04 C ATOM 685 CG LEU A 47 -2.969 -1.793 12.338 1.00 7.00 C ATOM 686 CD1 LEU A 47 -3.829 -1.620 11.099 1.00 6.92 C ATOM 687 CD2 LEU A 47 -1.500 -1.820 11.964 1.00 7.53 C ATOM 0 H LEU A 47 -5.073 -2.862 14.847 1.00 6.19 H new ATOM 0 HA LEU A 47 -3.189 -1.764 15.189 1.00 6.74 H new ATOM 0 HB2 LEU A 47 -3.893 0.066 12.878 1.00 7.04 H new ATOM 0 HB3 LEU A 47 -2.310 -0.179 13.587 1.00 7.04 H new ATOM 0 HG LEU A 47 -3.222 -2.746 12.803 1.00 7.00 H new ATOM 0 HD11 LEU A 47 -3.616 -2.423 10.393 1.00 6.92 H new ATOM 0 HD12 LEU A 47 -4.882 -1.654 11.379 1.00 6.92 H new ATOM 0 HD13 LEU A 47 -3.608 -0.659 10.634 1.00 6.92 H new ATOM 0 HD21 LEU A 47 -1.322 -2.620 11.245 1.00 7.53 H new ATOM 0 HD22 LEU A 47 -1.220 -0.865 11.520 1.00 7.53 H new ATOM 0 HD23 LEU A 47 -0.900 -1.995 12.857 1.00 7.53 H new ATOM 699 N ALA A 48 -4.976 1.008 14.960 1.00 6.28 N ATOM 700 CA ALA A 48 -5.437 2.193 15.665 1.00 6.64 C ATOM 701 C ALA A 48 -6.341 3.006 14.747 1.00 6.21 C ATOM 702 O ALA A 48 -7.559 3.030 14.915 1.00 6.37 O ATOM 703 CB ALA A 48 -4.260 3.031 16.147 1.00 7.26 C ATOM 0 H ALA A 48 -5.259 0.978 13.981 1.00 6.28 H new ATOM 0 HA ALA A 48 -6.003 1.886 16.544 1.00 6.64 H new ATOM 0 HB1 ALA A 48 -4.631 3.912 16.671 1.00 7.26 H new ATOM 0 HB2 ALA A 48 -3.644 2.438 16.824 1.00 7.26 H new ATOM 0 HB3 ALA A 48 -3.661 3.343 15.291 1.00 7.26 H new ATOM 709 N THR A 49 -5.742 3.641 13.753 1.00 5.97 N ATOM 710 CA THR A 49 -6.483 4.405 12.762 1.00 5.78 C ATOM 711 C THR A 49 -5.962 4.078 11.373 1.00 5.51 C ATOM 712 O THR A 49 -6.718 3.666 10.499 1.00 5.78 O ATOM 713 CB THR A 49 -6.368 5.920 13.015 1.00 5.98 C ATOM 714 OG1 THR A 49 -4.994 6.263 13.260 1.00 6.42 O ATOM 715 CG2 THR A 49 -7.225 6.344 14.198 1.00 6.50 C ATOM 0 H THR A 49 -4.732 3.642 13.610 1.00 5.97 H new ATOM 0 HA THR A 49 -7.535 4.129 12.840 1.00 5.78 H new ATOM 0 HB THR A 49 -6.727 6.446 12.130 1.00 5.98 H new ATOM 0 HG1 THR A 49 -4.921 7.227 13.419 1.00 6.42 H new ATOM 0 HG21 THR A 49 -7.124 7.418 14.354 1.00 6.50 H new ATOM 0 HG22 THR A 49 -8.269 6.103 13.996 1.00 6.50 H new ATOM 0 HG23 THR A 49 -6.897 5.815 15.093 1.00 6.50 H new ATOM 723 N GLU A 50 -4.654 4.260 11.204 1.00 5.40 N ATOM 724 CA GLU A 50 -3.952 3.909 9.975 1.00 5.68 C ATOM 725 C GLU A 50 -4.459 4.704 8.770 1.00 5.52 C ATOM 726 O GLU A 50 -5.157 4.189 7.897 1.00 5.73 O ATOM 727 CB GLU A 50 -4.010 2.396 9.713 1.00 6.30 C ATOM 728 CG GLU A 50 -3.176 1.945 8.521 1.00 7.02 C ATOM 729 CD GLU A 50 -1.782 2.539 8.531 1.00 8.02 C ATOM 730 OE1 GLU A 50 -0.917 2.021 9.270 1.00 8.40 O ATOM 731 OE2 GLU A 50 -1.537 3.516 7.794 1.00 8.59 O ATOM 0 H GLU A 50 -4.049 4.658 11.922 1.00 5.40 H new ATOM 0 HA GLU A 50 -2.907 4.185 10.117 1.00 5.68 H new ATOM 0 HB2 GLU A 50 -3.668 1.869 10.604 1.00 6.30 H new ATOM 0 HB3 GLU A 50 -5.048 2.105 9.549 1.00 6.30 H new ATOM 0 HG2 GLU A 50 -3.104 0.857 8.522 1.00 7.02 H new ATOM 0 HG3 GLU A 50 -3.682 2.230 7.599 1.00 7.02 H new ATOM 738 N GLU A 51 -4.126 5.983 8.772 1.00 5.43 N ATOM 739 CA GLU A 51 -4.289 6.842 7.616 1.00 5.45 C ATOM 740 C GLU A 51 -3.339 8.010 7.751 1.00 5.48 C ATOM 741 O GLU A 51 -3.743 9.173 7.774 1.00 5.85 O ATOM 742 CB GLU A 51 -5.718 7.351 7.451 1.00 5.47 C ATOM 743 CG GLU A 51 -6.294 7.992 8.698 1.00 6.03 C ATOM 744 CD GLU A 51 -7.670 8.574 8.458 1.00 6.79 C ATOM 745 OE1 GLU A 51 -8.657 7.809 8.475 1.00 7.46 O ATOM 746 OE2 GLU A 51 -7.771 9.802 8.256 1.00 6.93 O ATOM 0 H GLU A 51 -3.731 6.457 9.584 1.00 5.43 H new ATOM 0 HA GLU A 51 -4.065 6.255 6.725 1.00 5.45 H new ATOM 0 HB2 GLU A 51 -5.742 8.077 6.638 1.00 5.47 H new ATOM 0 HB3 GLU A 51 -6.357 6.519 7.155 1.00 5.47 H new ATOM 0 HG2 GLU A 51 -6.349 7.249 9.494 1.00 6.03 H new ATOM 0 HG3 GLU A 51 -5.623 8.779 9.043 1.00 6.03 H new ATOM 753 N VAL A 52 -2.066 7.692 7.872 1.00 5.42 N ATOM 754 CA VAL A 52 -1.056 8.709 8.078 1.00 5.86 C ATOM 755 C VAL A 52 -0.142 8.829 6.862 1.00 6.11 C ATOM 756 O VAL A 52 0.963 8.297 6.854 1.00 6.55 O ATOM 757 CB VAL A 52 -0.202 8.424 9.337 1.00 6.43 C ATOM 758 CG1 VAL A 52 0.749 9.576 9.617 1.00 6.99 C ATOM 759 CG2 VAL A 52 -1.092 8.166 10.540 1.00 6.80 C ATOM 0 H VAL A 52 -1.707 6.738 7.831 1.00 5.42 H new ATOM 0 HA VAL A 52 -1.585 9.651 8.225 1.00 5.86 H new ATOM 0 HB VAL A 52 0.391 7.529 9.148 1.00 6.43 H new ATOM 0 HG11 VAL A 52 1.339 9.353 10.506 1.00 6.99 H new ATOM 0 HG12 VAL A 52 1.415 9.713 8.765 1.00 6.99 H new ATOM 0 HG13 VAL A 52 0.176 10.489 9.781 1.00 6.99 H new ATOM 0 HG21 VAL A 52 -0.473 7.968 11.415 1.00 6.80 H new ATOM 0 HG22 VAL A 52 -1.714 9.041 10.727 1.00 6.80 H new ATOM 0 HG23 VAL A 52 -1.729 7.304 10.343 1.00 6.80 H new ATOM 769 N PRO A 53 -0.618 9.483 5.788 1.00 6.09 N ATOM 770 CA PRO A 53 0.231 9.870 4.680 1.00 6.51 C ATOM 771 C PRO A 53 0.838 11.244 4.950 1.00 6.99 C ATOM 772 O PRO A 53 1.973 11.529 4.578 1.00 7.85 O ATOM 773 CB PRO A 53 -0.729 9.903 3.483 1.00 6.60 C ATOM 774 CG PRO A 53 -2.121 9.914 4.050 1.00 6.37 C ATOM 775 CD PRO A 53 -2.010 9.870 5.551 1.00 6.00 C ATOM 0 HA PRO A 53 1.070 9.195 4.513 1.00 6.51 H new ATOM 0 HB2 PRO A 53 -0.553 10.787 2.870 1.00 6.60 H new ATOM 0 HB3 PRO A 53 -0.579 9.035 2.842 1.00 6.60 H new ATOM 0 HG2 PRO A 53 -2.655 10.810 3.733 1.00 6.37 H new ATOM 0 HG3 PRO A 53 -2.689 9.058 3.684 1.00 6.37 H new ATOM 0 HD2 PRO A 53 -2.237 10.838 5.997 1.00 6.00 H new ATOM 0 HD3 PRO A 53 -2.704 9.149 5.982 1.00 6.00 H new ATOM 783 N ASN A 54 0.058 12.090 5.616 1.00 6.65 N ATOM 784 CA ASN A 54 0.541 13.391 6.060 1.00 7.32 C ATOM 785 C ASN A 54 -0.073 13.719 7.419 1.00 7.87 C ATOM 786 O ASN A 54 0.030 14.839 7.907 1.00 8.62 O ATOM 787 CB ASN A 54 0.187 14.472 5.033 1.00 7.53 C ATOM 788 CG ASN A 54 1.101 15.683 5.116 1.00 7.80 C ATOM 789 OD1 ASN A 54 2.148 15.723 4.471 1.00 7.76 O ATOM 790 ND2 ASN A 54 0.721 16.676 5.906 1.00 8.37 N ATOM 0 H ASN A 54 -0.913 11.896 5.860 1.00 6.65 H new ATOM 0 HA ASN A 54 1.626 13.360 6.155 1.00 7.32 H new ATOM 0 HB2 ASN A 54 0.244 14.047 4.031 1.00 7.53 H new ATOM 0 HB3 ASN A 54 -0.844 14.789 5.187 1.00 7.53 H new ATOM 0 HD21 ASN A 54 1.303 17.509 5.994 1.00 8.37 H new ATOM 0 HD22 ASN A 54 -0.154 16.608 6.426 1.00 8.37 H new ATOM 797 N GLN A 55 -0.717 12.709 8.016 1.00 7.71 N ATOM 798 CA GLN A 55 -1.375 12.821 9.324 1.00 8.46 C ATOM 799 C GLN A 55 -2.582 13.778 9.309 1.00 8.71 C ATOM 800 O GLN A 55 -3.327 13.851 10.281 1.00 9.31 O ATOM 801 CB GLN A 55 -0.362 13.239 10.397 1.00 9.37 C ATOM 802 CG GLN A 55 -0.883 13.140 11.821 1.00 9.49 C ATOM 803 CD GLN A 55 -1.301 11.730 12.190 1.00 9.90 C ATOM 804 OE1 GLN A 55 -0.507 10.948 12.712 1.00 10.49 O ATOM 805 NE2 GLN A 55 -2.547 11.391 11.897 1.00 9.79 N ATOM 0 H GLN A 55 -0.797 11.781 7.600 1.00 7.71 H new ATOM 0 HA GLN A 55 -1.768 11.834 9.567 1.00 8.46 H new ATOM 0 HB2 GLN A 55 0.527 12.615 10.304 1.00 9.37 H new ATOM 0 HB3 GLN A 55 -0.052 14.266 10.207 1.00 9.37 H new ATOM 0 HG2 GLN A 55 -0.111 13.479 12.511 1.00 9.49 H new ATOM 0 HG3 GLN A 55 -1.734 13.811 11.941 1.00 9.49 H new ATOM 0 HE21 GLN A 55 -3.172 12.071 11.464 1.00 9.79 H new ATOM 0 HE22 GLN A 55 -2.882 10.450 12.104 1.00 9.79 H new ATOM 814 N GLU A 56 -2.801 14.474 8.203 1.00 8.44 N ATOM 815 CA GLU A 56 -3.873 15.465 8.116 1.00 8.86 C ATOM 816 C GLU A 56 -5.153 14.851 7.542 1.00 8.25 C ATOM 817 O GLU A 56 -5.866 15.499 6.781 1.00 8.21 O ATOM 818 CB GLU A 56 -3.422 16.635 7.237 1.00 9.28 C ATOM 819 CG GLU A 56 -2.117 17.282 7.684 1.00 10.30 C ATOM 820 CD GLU A 56 -2.194 17.894 9.072 1.00 10.82 C ATOM 821 OE1 GLU A 56 -2.751 19.002 9.207 1.00 11.15 O ATOM 822 OE2 GLU A 56 -1.682 17.276 10.027 1.00 11.07 O ATOM 0 H GLU A 56 -2.251 14.373 7.350 1.00 8.44 H new ATOM 0 HA GLU A 56 -4.090 15.821 9.123 1.00 8.86 H new ATOM 0 HB2 GLU A 56 -3.308 16.282 6.212 1.00 9.28 H new ATOM 0 HB3 GLU A 56 -4.206 17.392 7.228 1.00 9.28 H new ATOM 0 HG2 GLU A 56 -1.325 16.534 7.668 1.00 10.30 H new ATOM 0 HG3 GLU A 56 -1.839 18.056 6.968 1.00 10.30 H new ATOM 829 N GLN A 57 -5.449 13.612 7.947 1.00 8.02 N ATOM 830 CA GLN A 57 -6.606 12.865 7.460 1.00 7.71 C ATOM 831 C GLN A 57 -6.647 12.780 5.934 1.00 6.84 C ATOM 832 O GLN A 57 -7.217 13.642 5.262 1.00 6.77 O ATOM 833 CB GLN A 57 -7.906 13.480 7.971 1.00 8.64 C ATOM 834 CG GLN A 57 -8.183 13.254 9.452 1.00 9.62 C ATOM 835 CD GLN A 57 -7.220 13.987 10.368 1.00 10.46 C ATOM 836 OE1 GLN A 57 -6.176 13.455 10.747 1.00 10.72 O ATOM 837 NE2 GLN A 57 -7.568 15.207 10.743 1.00 11.09 N ATOM 0 H GLN A 57 -4.887 13.099 8.626 1.00 8.02 H new ATOM 0 HA GLN A 57 -6.504 11.852 7.849 1.00 7.71 H new ATOM 0 HB2 GLN A 57 -7.883 14.553 7.780 1.00 8.64 H new ATOM 0 HB3 GLN A 57 -8.736 13.071 7.394 1.00 8.64 H new ATOM 0 HG2 GLN A 57 -9.200 13.575 9.676 1.00 9.62 H new ATOM 0 HG3 GLN A 57 -8.132 12.186 9.664 1.00 9.62 H new ATOM 0 HE21 GLN A 57 -8.441 15.614 10.408 1.00 11.09 H new ATOM 0 HE22 GLN A 57 -6.963 15.741 11.367 1.00 11.09 H new ATOM 846 N ILE A 58 -6.028 11.741 5.386 1.00 6.43 N ATOM 847 CA ILE A 58 -6.064 11.508 3.945 1.00 5.79 C ATOM 848 C ILE A 58 -6.340 10.032 3.667 1.00 5.74 C ATOM 849 O ILE A 58 -5.417 9.220 3.587 1.00 5.48 O ATOM 850 CB ILE A 58 -4.754 11.918 3.215 1.00 5.36 C ATOM 851 CG1 ILE A 58 -4.319 13.350 3.572 1.00 5.76 C ATOM 852 CG2 ILE A 58 -4.929 11.777 1.708 1.00 5.36 C ATOM 853 CD1 ILE A 58 -3.426 13.438 4.797 1.00 6.29 C ATOM 0 H ILE A 58 -5.497 11.048 5.914 1.00 6.43 H new ATOM 0 HA ILE A 58 -6.862 12.140 3.555 1.00 5.79 H new ATOM 0 HB ILE A 58 -3.965 11.246 3.551 1.00 5.36 H new ATOM 0 HG12 ILE A 58 -3.793 13.782 2.720 1.00 5.76 H new ATOM 0 HG13 ILE A 58 -5.208 13.958 3.739 1.00 5.76 H new ATOM 0 HG21 ILE A 58 -4.006 12.067 1.206 1.00 5.36 H new ATOM 0 HG22 ILE A 58 -5.165 10.741 1.464 1.00 5.36 H new ATOM 0 HG23 ILE A 58 -5.741 12.422 1.374 1.00 5.36 H new ATOM 0 HD11 ILE A 58 -3.163 14.480 4.982 1.00 6.29 H new ATOM 0 HD12 ILE A 58 -3.955 13.038 5.662 1.00 6.29 H new ATOM 0 HD13 ILE A 58 -2.518 12.860 4.628 1.00 6.29 H new ATOM 865 N PRO A 59 -7.622 9.662 3.555 1.00 6.40 N ATOM 866 CA PRO A 59 -8.035 8.279 3.321 1.00 6.85 C ATOM 867 C PRO A 59 -8.090 7.905 1.838 1.00 6.63 C ATOM 868 O PRO A 59 -8.568 6.826 1.480 1.00 7.28 O ATOM 869 CB PRO A 59 -9.433 8.257 3.932 1.00 7.95 C ATOM 870 CG PRO A 59 -9.965 9.628 3.693 1.00 8.02 C ATOM 871 CD PRO A 59 -8.782 10.561 3.697 1.00 7.12 C ATOM 0 HA PRO A 59 -7.335 7.561 3.748 1.00 6.85 H new ATOM 0 HB2 PRO A 59 -10.060 7.500 3.461 1.00 7.95 H new ATOM 0 HB3 PRO A 59 -9.398 8.025 4.996 1.00 7.95 H new ATOM 0 HG2 PRO A 59 -10.493 9.677 2.741 1.00 8.02 H new ATOM 0 HG3 PRO A 59 -10.679 9.906 4.468 1.00 8.02 H new ATOM 0 HD2 PRO A 59 -8.835 11.277 2.877 1.00 7.12 H new ATOM 0 HD3 PRO A 59 -8.730 11.137 4.621 1.00 7.12 H new ATOM 879 N GLU A 60 -7.595 8.792 0.983 1.00 5.93 N ATOM 880 CA GLU A 60 -7.645 8.572 -0.460 1.00 5.88 C ATOM 881 C GLU A 60 -6.643 7.498 -0.881 1.00 5.80 C ATOM 882 O GLU A 60 -7.038 6.399 -1.268 1.00 5.92 O ATOM 883 CB GLU A 60 -7.354 9.874 -1.217 1.00 5.78 C ATOM 884 CG GLU A 60 -8.155 11.077 -0.726 1.00 5.71 C ATOM 885 CD GLU A 60 -9.650 10.860 -0.815 1.00 6.20 C ATOM 886 OE1 GLU A 60 -10.186 10.845 -1.943 1.00 6.44 O ATOM 887 OE2 GLU A 60 -10.294 10.705 0.242 1.00 6.61 O ATOM 0 H GLU A 60 -7.155 9.669 1.262 1.00 5.93 H new ATOM 0 HA GLU A 60 -8.650 8.233 -0.710 1.00 5.88 H new ATOM 0 HB2 GLU A 60 -6.291 10.100 -1.132 1.00 5.78 H new ATOM 0 HB3 GLU A 60 -7.563 9.720 -2.276 1.00 5.78 H new ATOM 0 HG2 GLU A 60 -7.884 11.291 0.308 1.00 5.71 H new ATOM 0 HG3 GLU A 60 -7.884 11.953 -1.314 1.00 5.71 H new ATOM 894 N GLU A 61 -5.351 7.836 -0.787 1.00 5.98 N ATOM 895 CA GLU A 61 -4.257 6.936 -1.174 1.00 6.40 C ATOM 896 C GLU A 61 -4.285 6.650 -2.675 1.00 6.67 C ATOM 897 O GLU A 61 -5.149 5.928 -3.171 1.00 7.45 O ATOM 898 CB GLU A 61 -4.322 5.626 -0.393 1.00 6.95 C ATOM 899 CG GLU A 61 -3.065 4.785 -0.536 1.00 7.52 C ATOM 900 CD GLU A 61 -3.156 3.437 0.152 1.00 8.17 C ATOM 901 OE1 GLU A 61 -3.603 3.381 1.313 1.00 8.72 O ATOM 902 OE2 GLU A 61 -2.750 2.429 -0.462 1.00 8.32 O ATOM 0 H GLU A 61 -5.034 8.742 -0.440 1.00 5.98 H new ATOM 0 HA GLU A 61 -3.320 7.439 -0.933 1.00 6.40 H new ATOM 0 HB2 GLU A 61 -4.487 5.846 0.662 1.00 6.95 H new ATOM 0 HB3 GLU A 61 -5.180 5.048 -0.736 1.00 6.95 H new ATOM 0 HG2 GLU A 61 -2.860 4.630 -1.595 1.00 7.52 H new ATOM 0 HG3 GLU A 61 -2.220 5.337 -0.125 1.00 7.52 H new ATOM 909 N GLY A 62 -3.335 7.215 -3.399 1.00 6.22 N ATOM 910 CA GLY A 62 -3.330 7.070 -4.838 1.00 6.69 C ATOM 911 C GLY A 62 -3.923 8.288 -5.499 1.00 6.92 C ATOM 912 O GLY A 62 -4.063 8.364 -6.718 1.00 7.40 O ATOM 0 H GLY A 62 -2.569 7.770 -3.018 1.00 6.22 H new ATOM 0 HA2 GLY A 62 -2.309 6.920 -5.190 1.00 6.69 H new ATOM 0 HA3 GLY A 62 -3.898 6.184 -5.121 1.00 6.69 H new ATOM 916 N PHE A 63 -4.225 9.273 -4.664 1.00 6.81 N ATOM 917 CA PHE A 63 -4.872 10.500 -5.097 1.00 7.27 C ATOM 918 C PHE A 63 -3.884 11.403 -5.819 1.00 6.90 C ATOM 919 O PHE A 63 -4.215 12.509 -6.234 1.00 7.34 O ATOM 920 CB PHE A 63 -5.472 11.217 -3.886 1.00 8.02 C ATOM 921 CG PHE A 63 -4.446 11.765 -2.930 1.00 7.85 C ATOM 922 CD1 PHE A 63 -3.794 10.925 -2.040 1.00 8.09 C ATOM 923 CD2 PHE A 63 -4.135 13.117 -2.914 1.00 7.70 C ATOM 924 CE1 PHE A 63 -2.857 11.418 -1.156 1.00 8.21 C ATOM 925 CE2 PHE A 63 -3.196 13.616 -2.029 1.00 7.74 C ATOM 926 CZ PHE A 63 -2.544 12.786 -1.174 1.00 8.00 C ATOM 0 H PHE A 63 -4.027 9.242 -3.664 1.00 6.81 H new ATOM 0 HA PHE A 63 -5.671 10.252 -5.796 1.00 7.27 H new ATOM 0 HB2 PHE A 63 -6.101 12.035 -4.236 1.00 8.02 H new ATOM 0 HB3 PHE A 63 -6.120 10.523 -3.350 1.00 8.02 H new ATOM 0 HD1 PHE A 63 -4.023 9.870 -2.039 1.00 8.09 H new ATOM 0 HD2 PHE A 63 -4.631 13.787 -3.600 1.00 7.70 H new ATOM 0 HE1 PHE A 63 -2.368 10.757 -0.456 1.00 8.21 H new ATOM 0 HE2 PHE A 63 -2.980 14.674 -2.018 1.00 7.74 H new ATOM 0 HZ PHE A 63 -1.787 13.177 -0.510 1.00 8.00 H new ATOM 936 N ILE A 64 -2.680 10.897 -5.987 1.00 6.31 N ATOM 937 CA ILE A 64 -1.636 11.609 -6.702 1.00 6.14 C ATOM 938 C ILE A 64 -1.877 11.536 -8.207 1.00 6.65 C ATOM 939 O ILE A 64 -1.039 11.947 -9.004 1.00 6.98 O ATOM 940 CB ILE A 64 -0.245 11.034 -6.372 1.00 5.61 C ATOM 941 CG1 ILE A 64 -0.203 9.534 -6.680 1.00 5.10 C ATOM 942 CG2 ILE A 64 0.107 11.305 -4.917 1.00 5.86 C ATOM 943 CD1 ILE A 64 1.145 8.889 -6.427 1.00 5.02 C ATOM 0 H ILE A 64 -2.396 9.983 -5.634 1.00 6.31 H new ATOM 0 HA ILE A 64 -1.665 12.651 -6.382 1.00 6.14 H new ATOM 0 HB ILE A 64 0.499 11.528 -6.997 1.00 5.61 H new ATOM 0 HG12 ILE A 64 -0.955 9.028 -6.075 1.00 5.10 H new ATOM 0 HG13 ILE A 64 -0.477 9.380 -7.724 1.00 5.10 H new ATOM 0 HG21 ILE A 64 1.092 10.893 -4.698 1.00 5.86 H new ATOM 0 HG22 ILE A 64 0.115 12.380 -4.739 1.00 5.86 H new ATOM 0 HG23 ILE A 64 -0.634 10.836 -4.270 1.00 5.86 H new ATOM 0 HD11 ILE A 64 1.092 7.828 -6.669 1.00 5.02 H new ATOM 0 HD12 ILE A 64 1.900 9.366 -7.052 1.00 5.02 H new ATOM 0 HD13 ILE A 64 1.414 9.009 -5.378 1.00 5.02 H new ATOM 955 N HIS A 65 -3.024 10.947 -8.575 1.00 6.99 N ATOM 956 CA HIS A 65 -3.473 10.823 -9.968 1.00 7.71 C ATOM 957 C HIS A 65 -2.689 9.735 -10.693 1.00 7.41 C ATOM 958 O HIS A 65 -3.027 9.351 -11.811 1.00 7.99 O ATOM 959 CB HIS A 65 -3.382 12.153 -10.736 1.00 8.57 C ATOM 960 CG HIS A 65 -4.268 13.236 -10.200 1.00 9.17 C ATOM 961 ND1 HIS A 65 -4.023 14.574 -10.410 1.00 9.64 N ATOM 962 CD2 HIS A 65 -5.406 13.176 -9.469 1.00 9.60 C ATOM 963 CE1 HIS A 65 -4.965 15.289 -9.831 1.00 10.31 C ATOM 964 NE2 HIS A 65 -5.821 14.464 -9.254 1.00 10.28 N ATOM 0 H HIS A 65 -3.674 10.538 -7.904 1.00 6.99 H new ATOM 0 HA HIS A 65 -4.526 10.541 -9.936 1.00 7.71 H new ATOM 0 HB2 HIS A 65 -2.349 12.501 -10.715 1.00 8.57 H new ATOM 0 HB3 HIS A 65 -3.637 11.974 -11.780 1.00 8.57 H new ATOM 0 HD2 HIS A 65 -5.896 12.279 -9.120 1.00 9.60 H new ATOM 0 HE1 HIS A 65 -5.027 16.367 -9.828 1.00 10.31 H new ATOM 0 HE2 HIS A 65 -6.654 14.741 -8.734 1.00 10.28 H new ATOM 973 N THR A 66 -1.639 9.242 -10.031 1.00 6.67 N ATOM 974 CA THR A 66 -0.812 8.140 -10.521 1.00 6.47 C ATOM 975 C THR A 66 -0.262 8.403 -11.925 1.00 6.60 C ATOM 976 O THR A 66 -0.003 7.471 -12.686 1.00 6.62 O ATOM 977 CB THR A 66 -1.569 6.788 -10.485 1.00 6.64 C ATOM 978 OG1 THR A 66 -2.778 6.855 -11.251 1.00 7.18 O ATOM 979 CG2 THR A 66 -1.891 6.388 -9.049 1.00 6.82 C ATOM 0 H THR A 66 -1.336 9.604 -9.127 1.00 6.67 H new ATOM 0 HA THR A 66 0.036 8.075 -9.839 1.00 6.47 H new ATOM 0 HB THR A 66 -0.918 6.033 -10.926 1.00 6.64 H new ATOM 0 HG1 THR A 66 -2.756 7.646 -11.829 1.00 7.18 H new ATOM 0 HG21 THR A 66 -2.422 5.436 -9.047 1.00 6.82 H new ATOM 0 HG22 THR A 66 -0.965 6.288 -8.483 1.00 6.82 H new ATOM 0 HG23 THR A 66 -2.516 7.154 -8.590 1.00 6.82 H new ATOM 987 N GLN A 67 -0.044 9.679 -12.248 1.00 6.89 N ATOM 988 CA GLN A 67 0.557 10.053 -13.524 1.00 7.37 C ATOM 989 C GLN A 67 2.020 9.621 -13.559 1.00 7.24 C ATOM 990 O GLN A 67 2.637 9.531 -14.621 1.00 7.66 O ATOM 991 CB GLN A 67 0.472 11.566 -13.735 1.00 8.01 C ATOM 992 CG GLN A 67 1.209 12.362 -12.666 1.00 8.35 C ATOM 993 CD GLN A 67 1.654 13.725 -13.151 1.00 9.02 C ATOM 994 OE1 GLN A 67 2.750 13.873 -13.691 1.00 9.58 O ATOM 995 NE2 GLN A 67 0.815 14.726 -12.956 1.00 9.24 N ATOM 0 H GLN A 67 -0.275 10.467 -11.643 1.00 6.89 H new ATOM 0 HA GLN A 67 0.008 9.551 -14.321 1.00 7.37 H new ATOM 0 HB2 GLN A 67 0.885 11.814 -14.713 1.00 8.01 H new ATOM 0 HB3 GLN A 67 -0.576 11.867 -13.746 1.00 8.01 H new ATOM 0 HG2 GLN A 67 0.560 12.484 -11.799 1.00 8.35 H new ATOM 0 HG3 GLN A 67 2.080 11.797 -12.335 1.00 8.35 H new ATOM 0 HE21 GLN A 67 -0.084 14.557 -12.504 1.00 9.24 H new ATOM 0 HE22 GLN A 67 1.066 15.668 -13.257 1.00 9.24 H new ATOM 1004 N TYR A 68 2.562 9.384 -12.374 1.00 6.89 N ATOM 1005 CA TYR A 68 3.947 8.980 -12.218 1.00 7.01 C ATOM 1006 C TYR A 68 4.039 7.459 -12.143 1.00 6.55 C ATOM 1007 O TYR A 68 5.062 6.860 -12.480 1.00 6.81 O ATOM 1008 CB TYR A 68 4.502 9.608 -10.936 1.00 7.18 C ATOM 1009 CG TYR A 68 5.993 9.450 -10.747 1.00 7.77 C ATOM 1010 CD1 TYR A 68 6.888 10.278 -11.419 1.00 8.17 C ATOM 1011 CD2 TYR A 68 6.512 8.466 -9.914 1.00 8.20 C ATOM 1012 CE1 TYR A 68 8.251 10.131 -11.263 1.00 8.94 C ATOM 1013 CE2 TYR A 68 7.874 8.310 -9.755 1.00 8.96 C ATOM 1014 CZ TYR A 68 8.734 9.174 -10.367 1.00 9.31 C ATOM 1015 OH TYR A 68 10.099 8.990 -10.280 1.00 10.22 O ATOM 0 H TYR A 68 2.052 9.467 -11.495 1.00 6.89 H new ATOM 0 HA TYR A 68 4.531 9.319 -13.073 1.00 7.01 H new ATOM 0 HB2 TYR A 68 4.260 10.671 -10.935 1.00 7.18 H new ATOM 0 HB3 TYR A 68 3.992 9.164 -10.081 1.00 7.18 H new ATOM 0 HD1 TYR A 68 6.509 11.049 -12.074 1.00 8.17 H new ATOM 0 HD2 TYR A 68 5.837 7.812 -9.382 1.00 8.20 H new ATOM 0 HE1 TYR A 68 8.936 10.748 -11.826 1.00 8.94 H new ATOM 0 HE2 TYR A 68 8.259 7.505 -9.147 1.00 8.96 H new ATOM 0 HH TYR A 68 10.294 8.295 -9.617 1.00 10.22 H new ATOM 1025 N GLY A 69 2.940 6.837 -11.727 1.00 6.15 N ATOM 1026 CA GLY A 69 2.945 5.420 -11.447 1.00 6.07 C ATOM 1027 C GLY A 69 3.730 5.117 -10.189 1.00 5.90 C ATOM 1028 O GLY A 69 4.256 6.026 -9.550 1.00 5.61 O ATOM 0 H GLY A 69 2.042 7.297 -11.579 1.00 6.15 H new ATOM 0 HA2 GLY A 69 1.921 5.065 -11.335 1.00 6.07 H new ATOM 0 HA3 GLY A 69 3.379 4.881 -12.289 1.00 6.07 H new ATOM 1032 N GLN A 70 3.798 3.855 -9.816 1.00 6.45 N ATOM 1033 CA GLN A 70 4.600 3.455 -8.666 1.00 6.69 C ATOM 1034 C GLN A 70 5.364 2.170 -8.973 1.00 6.71 C ATOM 1035 O GLN A 70 5.652 1.363 -8.086 1.00 7.25 O ATOM 1036 CB GLN A 70 3.714 3.299 -7.419 1.00 7.70 C ATOM 1037 CG GLN A 70 2.584 2.292 -7.567 1.00 8.32 C ATOM 1038 CD GLN A 70 1.656 2.278 -6.369 1.00 9.06 C ATOM 1039 OE1 GLN A 70 0.653 2.991 -6.334 1.00 9.52 O ATOM 1040 NE2 GLN A 70 1.994 1.476 -5.373 1.00 9.42 N ATOM 0 H GLN A 70 3.313 3.090 -10.285 1.00 6.45 H new ATOM 0 HA GLN A 70 5.331 4.236 -8.457 1.00 6.69 H new ATOM 0 HB2 GLN A 70 4.341 3.001 -6.579 1.00 7.70 H new ATOM 0 HB3 GLN A 70 3.287 4.270 -7.169 1.00 7.70 H new ATOM 0 HG2 GLN A 70 2.010 2.525 -8.464 1.00 8.32 H new ATOM 0 HG3 GLN A 70 3.005 1.297 -7.707 1.00 8.32 H new ATOM 0 HE21 GLN A 70 2.834 0.902 -5.443 1.00 9.42 H new ATOM 0 HE22 GLN A 70 1.415 1.432 -4.535 1.00 9.42 H new ATOM 1049 N LYS A 71 5.715 2.006 -10.241 1.00 6.35 N ATOM 1050 CA LYS A 71 6.512 0.866 -10.672 1.00 6.54 C ATOM 1051 C LYS A 71 7.782 1.229 -11.500 1.00 6.34 C ATOM 1052 O LYS A 71 8.417 0.318 -12.032 1.00 6.36 O ATOM 1053 CB LYS A 71 5.646 -0.125 -11.469 1.00 6.82 C ATOM 1054 CG LYS A 71 5.179 0.362 -12.839 1.00 6.50 C ATOM 1055 CD LYS A 71 4.072 1.399 -12.734 1.00 6.36 C ATOM 1056 CE LYS A 71 3.305 1.554 -14.045 1.00 6.74 C ATOM 1057 NZ LYS A 71 4.166 2.043 -15.153 1.00 6.51 N ATOM 0 H LYS A 71 5.460 2.649 -10.990 1.00 6.35 H new ATOM 0 HA LYS A 71 6.874 0.411 -9.750 1.00 6.54 H new ATOM 0 HB2 LYS A 71 6.211 -1.047 -11.604 1.00 6.82 H new ATOM 0 HB3 LYS A 71 4.768 -0.374 -10.873 1.00 6.82 H new ATOM 0 HG2 LYS A 71 6.024 0.789 -13.378 1.00 6.50 H new ATOM 0 HG3 LYS A 71 4.825 -0.487 -13.423 1.00 6.50 H new ATOM 0 HD2 LYS A 71 3.381 1.112 -11.942 1.00 6.36 H new ATOM 0 HD3 LYS A 71 4.501 2.360 -12.450 1.00 6.36 H new ATOM 0 HE2 LYS A 71 2.870 0.594 -14.324 1.00 6.74 H new ATOM 0 HE3 LYS A 71 2.478 2.248 -13.898 1.00 6.74 H new ATOM 0 HZ1 LYS A 71 3.599 2.131 -16.020 1.00 6.51 H new ATOM 0 HZ2 LYS A 71 4.561 2.972 -14.902 1.00 6.51 H new ATOM 0 HZ3 LYS A 71 4.941 1.369 -15.314 1.00 6.51 H new ATOM 1071 N PRO A 72 8.225 2.519 -11.616 1.00 6.47 N ATOM 1072 CA PRO A 72 9.399 2.866 -12.414 1.00 6.58 C ATOM 1073 C PRO A 72 10.659 2.989 -11.556 1.00 6.47 C ATOM 1074 O PRO A 72 11.589 3.720 -11.898 1.00 6.74 O ATOM 1075 CB PRO A 72 9.003 4.227 -12.979 1.00 7.14 C ATOM 1076 CG PRO A 72 8.138 4.850 -11.924 1.00 7.24 C ATOM 1077 CD PRO A 72 7.676 3.743 -11.003 1.00 6.89 C ATOM 0 HA PRO A 72 9.643 2.116 -13.166 1.00 6.58 H new ATOM 0 HB2 PRO A 72 9.881 4.840 -13.182 1.00 7.14 H new ATOM 0 HB3 PRO A 72 8.463 4.122 -13.920 1.00 7.14 H new ATOM 0 HG2 PRO A 72 8.695 5.604 -11.368 1.00 7.24 H new ATOM 0 HG3 PRO A 72 7.284 5.354 -12.377 1.00 7.24 H new ATOM 0 HD2 PRO A 72 8.050 3.885 -9.989 1.00 6.89 H new ATOM 0 HD3 PRO A 72 6.589 3.704 -10.939 1.00 6.89 H new ATOM 1085 N GLU A 73 10.673 2.263 -10.446 1.00 6.33 N ATOM 1086 CA GLU A 73 11.766 2.334 -9.477 1.00 6.45 C ATOM 1087 C GLU A 73 13.095 1.881 -10.068 1.00 6.01 C ATOM 1088 O GLU A 73 14.045 2.662 -10.133 1.00 5.68 O ATOM 1089 CB GLU A 73 11.438 1.500 -8.237 1.00 6.92 C ATOM 1090 CG GLU A 73 10.790 0.164 -8.555 1.00 7.38 C ATOM 1091 CD GLU A 73 10.556 -0.678 -7.322 1.00 7.92 C ATOM 1092 OE1 GLU A 73 9.559 -0.437 -6.615 1.00 8.11 O ATOM 1093 OE2 GLU A 73 11.370 -1.588 -7.059 1.00 8.39 O ATOM 0 H GLU A 73 9.932 1.610 -10.190 1.00 6.33 H new ATOM 0 HA GLU A 73 11.871 3.382 -9.195 1.00 6.45 H new ATOM 0 HB2 GLU A 73 12.355 1.324 -7.675 1.00 6.92 H new ATOM 0 HB3 GLU A 73 10.772 2.072 -7.591 1.00 6.92 H new ATOM 0 HG2 GLU A 73 9.839 0.337 -9.058 1.00 7.38 H new ATOM 0 HG3 GLU A 73 11.423 -0.386 -9.251 1.00 7.38 H new ATOM 1100 N GLN A 74 13.150 0.618 -10.496 1.00 6.31 N ATOM 1101 CA GLN A 74 14.393 0.005 -10.966 1.00 6.22 C ATOM 1102 C GLN A 74 15.448 0.029 -9.863 1.00 6.34 C ATOM 1103 O GLN A 74 16.255 0.955 -9.793 1.00 6.32 O ATOM 1104 CB GLN A 74 14.933 0.710 -12.217 1.00 6.38 C ATOM 1105 CG GLN A 74 14.089 0.518 -13.469 1.00 6.83 C ATOM 1106 CD GLN A 74 14.107 -0.908 -13.979 1.00 7.20 C ATOM 1107 OE1 GLN A 74 14.997 -1.295 -14.742 1.00 7.16 O ATOM 1108 NE2 GLN A 74 13.122 -1.692 -13.585 1.00 7.82 N ATOM 0 H GLN A 74 12.342 -0.003 -10.526 1.00 6.31 H new ATOM 0 HA GLN A 74 14.169 -1.029 -11.230 1.00 6.22 H new ATOM 0 HB2 GLN A 74 15.014 1.777 -12.010 1.00 6.38 H new ATOM 0 HB3 GLN A 74 15.941 0.347 -12.416 1.00 6.38 H new ATOM 0 HG2 GLN A 74 13.060 0.809 -13.256 1.00 6.83 H new ATOM 0 HG3 GLN A 74 14.453 1.183 -14.252 1.00 6.83 H new ATOM 0 HE21 GLN A 74 12.406 -1.333 -12.953 1.00 7.82 H new ATOM 0 HE22 GLN A 74 13.076 -2.657 -13.912 1.00 7.82 H new ATOM 1117 N PRO A 75 15.456 -0.992 -8.986 1.00 6.73 N ATOM 1118 CA PRO A 75 16.413 -1.083 -7.871 1.00 7.11 C ATOM 1119 C PRO A 75 17.848 -1.299 -8.343 1.00 7.12 C ATOM 1120 O PRO A 75 18.760 -1.487 -7.537 1.00 7.46 O ATOM 1121 CB PRO A 75 15.928 -2.300 -7.072 1.00 7.79 C ATOM 1122 CG PRO A 75 15.152 -3.117 -8.049 1.00 7.64 C ATOM 1123 CD PRO A 75 14.522 -2.134 -8.999 1.00 7.09 C ATOM 0 HA PRO A 75 16.440 -0.159 -7.293 1.00 7.11 H new ATOM 0 HB2 PRO A 75 16.767 -2.864 -6.664 1.00 7.79 H new ATOM 0 HB3 PRO A 75 15.307 -1.997 -6.229 1.00 7.79 H new ATOM 0 HG2 PRO A 75 15.802 -3.812 -8.580 1.00 7.64 H new ATOM 0 HG3 PRO A 75 14.393 -3.714 -7.543 1.00 7.64 H new ATOM 0 HD2 PRO A 75 14.416 -2.554 -9.999 1.00 7.09 H new ATOM 0 HD3 PRO A 75 13.525 -1.841 -8.670 1.00 7.09 H new ATOM 1131 N SER A 76 18.036 -1.280 -9.651 1.00 7.00 N ATOM 1132 CA SER A 76 19.361 -1.425 -10.235 1.00 7.24 C ATOM 1133 C SER A 76 19.796 -0.125 -10.905 1.00 7.24 C ATOM 1134 O SER A 76 20.857 -0.062 -11.532 1.00 7.02 O ATOM 1135 CB SER A 76 19.358 -2.566 -11.247 1.00 7.66 C ATOM 1136 OG SER A 76 18.807 -3.737 -10.674 1.00 7.89 O ATOM 0 H SER A 76 17.286 -1.165 -10.332 1.00 7.00 H new ATOM 0 HA SER A 76 20.071 -1.655 -9.441 1.00 7.24 H new ATOM 0 HB2 SER A 76 18.781 -2.278 -12.126 1.00 7.66 H new ATOM 0 HB3 SER A 76 20.376 -2.763 -11.584 1.00 7.66 H new ATOM 0 HG SER A 76 18.811 -4.459 -11.337 1.00 7.89 H new ATOM 1142 N GLY A 77 18.972 0.907 -10.762 1.00 7.81 N ATOM 1143 CA GLY A 77 19.266 2.196 -11.359 1.00 8.19 C ATOM 1144 C GLY A 77 19.020 2.209 -12.859 1.00 8.67 C ATOM 1145 O GLY A 77 17.924 2.546 -13.308 1.00 9.39 O ATOM 0 H GLY A 77 18.098 0.872 -10.238 1.00 7.81 H new ATOM 0 HA2 GLY A 77 18.651 2.961 -10.886 1.00 8.19 H new ATOM 0 HA3 GLY A 77 20.306 2.456 -11.162 1.00 8.19 H new ATOM 1149 N ALA A 78 20.033 1.821 -13.627 1.00 8.46 N ATOM 1150 CA ALA A 78 19.933 1.796 -15.083 1.00 9.08 C ATOM 1151 C ALA A 78 20.834 0.712 -15.665 1.00 9.03 C ATOM 1152 O ALA A 78 22.015 0.634 -15.332 1.00 8.98 O ATOM 1153 CB ALA A 78 20.290 3.162 -15.662 1.00 9.36 C ATOM 0 H ALA A 78 20.937 1.518 -13.264 1.00 8.46 H new ATOM 0 HA ALA A 78 18.903 1.564 -15.355 1.00 9.08 H new ATOM 0 HB1 ALA A 78 20.211 3.128 -16.749 1.00 9.36 H new ATOM 0 HB2 ALA A 78 19.604 3.913 -15.271 1.00 9.36 H new ATOM 0 HB3 ALA A 78 21.311 3.421 -15.380 1.00 9.36 H new ATOM 1159 N SER A 79 20.284 -0.112 -16.548 1.00 9.25 N ATOM 1160 CA SER A 79 21.030 -1.214 -17.147 1.00 9.45 C ATOM 1161 C SER A 79 21.892 -0.718 -18.317 1.00 9.58 C ATOM 1162 O SER A 79 22.111 -1.431 -19.297 1.00 9.90 O ATOM 1163 CB SER A 79 20.051 -2.309 -17.603 1.00 9.59 C ATOM 1164 OG SER A 79 20.732 -3.452 -18.095 1.00 9.83 O ATOM 0 H SER A 79 19.318 -0.038 -16.867 1.00 9.25 H new ATOM 0 HA SER A 79 21.705 -1.635 -16.402 1.00 9.45 H new ATOM 0 HB2 SER A 79 19.413 -2.597 -16.767 1.00 9.59 H new ATOM 0 HB3 SER A 79 19.398 -1.912 -18.380 1.00 9.59 H new ATOM 0 HG SER A 79 21.393 -3.176 -18.764 1.00 9.83 H new ATOM 1170 N ALA A 80 22.408 0.503 -18.193 1.00 9.56 N ATOM 1171 CA ALA A 80 23.278 1.080 -19.212 1.00 9.88 C ATOM 1172 C ALA A 80 24.733 0.975 -18.773 1.00 9.90 C ATOM 1173 O ALA A 80 25.585 1.762 -19.187 1.00 10.21 O ATOM 1174 CB ALA A 80 22.897 2.532 -19.457 1.00 10.43 C ATOM 0 H ALA A 80 22.237 1.113 -17.393 1.00 9.56 H new ATOM 0 HA ALA A 80 23.156 0.527 -20.143 1.00 9.88 H new ATOM 0 HB1 ALA A 80 23.551 2.956 -20.219 1.00 10.43 H new ATOM 0 HB2 ALA A 80 21.863 2.584 -19.796 1.00 10.43 H new ATOM 0 HB3 ALA A 80 23.004 3.097 -18.531 1.00 10.43 H new ATOM 1180 N GLY A 81 25.005 -0.020 -17.937 1.00 9.80 N ATOM 1181 CA GLY A 81 26.314 -0.157 -17.342 1.00 10.04 C ATOM 1182 C GLY A 81 26.318 0.387 -15.931 1.00 10.12 C ATOM 1183 O GLY A 81 27.352 0.384 -15.254 1.00 10.38 O ATOM 0 H GLY A 81 24.335 -0.738 -17.661 1.00 9.80 H new ATOM 0 HA2 GLY A 81 26.607 -1.207 -17.333 1.00 10.04 H new ATOM 0 HA3 GLY A 81 27.051 0.375 -17.944 1.00 10.04 H new ATOM 1187 N HIS A 82 25.136 0.852 -15.499 1.00 10.09 N ATOM 1188 CA HIS A 82 24.935 1.501 -14.195 1.00 10.32 C ATOM 1189 C HIS A 82 25.608 2.872 -14.165 1.00 10.96 C ATOM 1190 O HIS A 82 24.941 3.887 -13.958 1.00 11.19 O ATOM 1191 CB HIS A 82 25.436 0.629 -13.033 1.00 10.38 C ATOM 1192 CG HIS A 82 24.679 -0.654 -12.850 1.00 10.29 C ATOM 1193 ND1 HIS A 82 24.892 -1.502 -11.787 1.00 10.66 N ATOM 1194 CD2 HIS A 82 23.713 -1.235 -13.598 1.00 10.14 C ATOM 1195 CE1 HIS A 82 24.102 -2.551 -11.895 1.00 10.73 C ATOM 1196 NE2 HIS A 82 23.373 -2.413 -12.987 1.00 10.43 N ATOM 0 H HIS A 82 24.282 0.787 -16.053 1.00 10.09 H new ATOM 0 HA HIS A 82 23.861 1.633 -14.063 1.00 10.32 H new ATOM 0 HB2 HIS A 82 26.488 0.396 -13.197 1.00 10.38 H new ATOM 0 HB3 HIS A 82 25.378 1.206 -12.110 1.00 10.38 H new ATOM 0 HD2 HIS A 82 23.288 -0.842 -14.510 1.00 10.14 H new ATOM 0 HE1 HIS A 82 24.058 -3.382 -11.207 1.00 10.73 H new ATOM 0 HE2 HIS A 82 22.672 -3.075 -13.321 1.00 10.43 H new ATOM 1205 N ARG A 83 26.925 2.890 -14.388 1.00 11.41 N ATOM 1206 CA ARG A 83 27.706 4.129 -14.407 1.00 12.20 C ATOM 1207 C ARG A 83 27.689 4.782 -13.031 1.00 12.66 C ATOM 1208 O ARG A 83 27.213 4.189 -12.057 1.00 12.79 O ATOM 1209 CB ARG A 83 27.162 5.107 -15.457 1.00 12.48 C ATOM 1210 CG ARG A 83 27.048 4.513 -16.850 1.00 12.24 C ATOM 1211 CD ARG A 83 26.368 5.473 -17.814 1.00 12.18 C ATOM 1212 NE ARG A 83 27.191 6.640 -18.106 1.00 12.92 N ATOM 1213 CZ ARG A 83 26.717 7.871 -18.267 1.00 13.33 C ATOM 1214 NH1 ARG A 83 25.428 8.131 -18.063 1.00 13.12 N ATOM 1215 NH2 ARG A 83 27.547 8.848 -18.602 1.00 14.12 N ATOM 0 H ARG A 83 27.477 2.050 -14.560 1.00 11.41 H new ATOM 0 HA ARG A 83 28.733 3.878 -14.672 1.00 12.20 H new ATOM 0 HB2 ARG A 83 26.179 5.456 -15.140 1.00 12.48 H new ATOM 0 HB3 ARG A 83 27.813 5.981 -15.497 1.00 12.48 H new ATOM 0 HG2 ARG A 83 28.042 4.265 -17.223 1.00 12.24 H new ATOM 0 HG3 ARG A 83 26.483 3.582 -16.804 1.00 12.24 H new ATOM 0 HD2 ARG A 83 26.140 4.950 -18.743 1.00 12.18 H new ATOM 0 HD3 ARG A 83 25.418 5.798 -17.390 1.00 12.18 H new ATOM 0 HE ARG A 83 28.198 6.503 -18.193 1.00 12.92 H new ATOM 0 HH11 ARG A 83 24.795 7.382 -17.781 1.00 13.12 H new ATOM 0 HH12 ARG A 83 25.073 9.079 -18.189 1.00 13.12 H new ATOM 0 HH21 ARG A 83 28.539 8.652 -18.734 1.00 14.12 H new ATOM 0 HH22 ARG A 83 27.194 9.797 -18.728 1.00 14.12 H new ATOM 1229 N PHE A 84 28.221 5.994 -12.943 1.00 13.06 N ATOM 1230 CA PHE A 84 28.192 6.751 -11.694 1.00 13.61 C ATOM 1231 C PHE A 84 27.765 8.218 -11.909 1.00 14.10 C ATOM 1232 O PHE A 84 28.312 9.118 -11.275 1.00 14.50 O ATOM 1233 CB PHE A 84 29.578 6.710 -11.024 1.00 14.25 C ATOM 1234 CG PHE A 84 29.981 5.351 -10.518 1.00 14.22 C ATOM 1235 CD1 PHE A 84 30.651 4.466 -11.342 1.00 14.17 C ATOM 1236 CD2 PHE A 84 29.683 4.958 -9.223 1.00 14.39 C ATOM 1237 CE1 PHE A 84 31.019 3.215 -10.891 1.00 14.34 C ATOM 1238 CE2 PHE A 84 30.050 3.707 -8.763 1.00 14.57 C ATOM 1239 CZ PHE A 84 30.725 2.848 -9.566 1.00 14.57 C ATOM 0 H PHE A 84 28.677 6.475 -13.718 1.00 13.06 H new ATOM 0 HA PHE A 84 27.449 6.282 -11.048 1.00 13.61 H new ATOM 0 HB2 PHE A 84 30.325 7.055 -11.739 1.00 14.25 H new ATOM 0 HB3 PHE A 84 29.587 7.412 -10.191 1.00 14.25 H new ATOM 0 HD1 PHE A 84 30.890 4.758 -12.354 1.00 14.17 H new ATOM 0 HD2 PHE A 84 29.159 5.636 -8.566 1.00 14.39 H new ATOM 0 HE1 PHE A 84 31.527 2.525 -11.549 1.00 14.34 H new ATOM 0 HE2 PHE A 84 29.797 3.411 -7.756 1.00 14.57 H new ATOM 0 HZ PHE A 84 31.036 1.885 -9.189 1.00 14.57 H new ATOM 1249 N PRO A 85 26.738 8.501 -12.749 1.00 14.25 N ATOM 1250 CA PRO A 85 26.316 9.867 -13.024 1.00 14.89 C ATOM 1251 C PRO A 85 25.222 10.316 -12.065 1.00 14.90 C ATOM 1252 O PRO A 85 24.740 11.447 -12.129 1.00 15.47 O ATOM 1253 CB PRO A 85 25.781 9.761 -14.446 1.00 14.92 C ATOM 1254 CG PRO A 85 25.204 8.382 -14.537 1.00 14.53 C ATOM 1255 CD PRO A 85 25.888 7.541 -13.479 1.00 14.02 C ATOM 0 HA PRO A 85 27.116 10.598 -12.906 1.00 14.89 H new ATOM 0 HB2 PRO A 85 25.024 10.520 -14.641 1.00 14.92 H new ATOM 0 HB3 PRO A 85 26.575 9.907 -15.179 1.00 14.92 H new ATOM 0 HG2 PRO A 85 24.126 8.404 -14.374 1.00 14.53 H new ATOM 0 HG3 PRO A 85 25.368 7.961 -15.529 1.00 14.53 H new ATOM 0 HD2 PRO A 85 25.163 7.067 -12.817 1.00 14.02 H new ATOM 0 HD3 PRO A 85 26.481 6.743 -13.926 1.00 14.02 H new ATOM 1263 N GLN A 86 24.839 9.413 -11.176 1.00 14.42 N ATOM 1264 CA GLN A 86 23.786 9.681 -10.211 1.00 14.58 C ATOM 1265 C GLN A 86 24.340 9.646 -8.795 1.00 14.98 C ATOM 1266 O GLN A 86 23.597 9.491 -7.828 1.00 15.51 O ATOM 1267 CB GLN A 86 22.660 8.657 -10.359 1.00 13.80 C ATOM 1268 CG GLN A 86 22.027 8.649 -11.737 1.00 13.24 C ATOM 1269 CD GLN A 86 20.868 7.682 -11.840 1.00 12.42 C ATOM 1270 OE1 GLN A 86 19.727 8.041 -11.560 1.00 12.34 O ATOM 1271 NE2 GLN A 86 21.149 6.452 -12.241 1.00 11.97 N ATOM 0 H GLN A 86 25.246 8.481 -11.103 1.00 14.42 H new ATOM 0 HA GLN A 86 23.386 10.676 -10.404 1.00 14.58 H new ATOM 0 HB2 GLN A 86 23.052 7.663 -10.142 1.00 13.80 H new ATOM 0 HB3 GLN A 86 21.890 8.865 -9.616 1.00 13.80 H new ATOM 0 HG2 GLN A 86 21.680 9.653 -11.979 1.00 13.24 H new ATOM 0 HG3 GLN A 86 22.782 8.386 -12.478 1.00 13.24 H new ATOM 0 HE21 GLN A 86 22.111 6.195 -12.464 1.00 11.97 H new ATOM 0 HE22 GLN A 86 20.404 5.761 -12.327 1.00 11.97 H new ATOM 1280 N GLY A 87 25.658 9.770 -8.682 1.00 14.85 N ATOM 1281 CA GLY A 87 26.310 9.783 -7.378 1.00 15.28 C ATOM 1282 C GLY A 87 26.466 8.398 -6.783 1.00 15.54 C ATOM 1283 O GLY A 87 27.406 8.146 -6.026 1.00 16.04 O ATOM 0 H GLY A 87 26.294 9.863 -9.474 1.00 14.85 H new ATOM 0 HA2 GLY A 87 27.293 10.245 -7.473 1.00 15.28 H new ATOM 0 HA3 GLY A 87 25.731 10.404 -6.694 1.00 15.28 H new ATOM 1287 N TYR A 88 25.536 7.510 -7.135 1.00 15.34 N ATOM 1288 CA TYR A 88 25.501 6.138 -6.635 1.00 15.74 C ATOM 1289 C TYR A 88 25.204 6.139 -5.143 1.00 16.38 C ATOM 1290 O TYR A 88 26.109 6.280 -4.322 1.00 16.65 O ATOM 1291 CB TYR A 88 26.818 5.411 -6.919 1.00 15.89 C ATOM 1292 CG TYR A 88 26.713 3.903 -6.886 1.00 16.18 C ATOM 1293 CD1 TYR A 88 26.847 3.218 -5.687 1.00 16.39 C ATOM 1294 CD2 TYR A 88 26.481 3.166 -8.041 1.00 16.39 C ATOM 1295 CE1 TYR A 88 26.753 1.841 -5.635 1.00 16.82 C ATOM 1296 CE2 TYR A 88 26.386 1.786 -8.000 1.00 16.82 C ATOM 1297 CZ TYR A 88 26.514 1.126 -6.856 1.00 17.05 C ATOM 1298 OH TYR A 88 26.428 -0.246 -6.735 1.00 17.61 O ATOM 0 H TYR A 88 24.778 7.727 -7.782 1.00 15.34 H new ATOM 0 HA TYR A 88 24.708 5.603 -7.157 1.00 15.74 H new ATOM 0 HB2 TYR A 88 27.185 5.717 -7.899 1.00 15.89 H new ATOM 0 HB3 TYR A 88 27.561 5.728 -6.187 1.00 15.89 H new ATOM 0 HD1 TYR A 88 27.028 3.772 -4.778 1.00 16.39 H new ATOM 0 HD2 TYR A 88 26.373 3.678 -8.986 1.00 16.39 H new ATOM 0 HE1 TYR A 88 26.857 1.315 -4.698 1.00 16.82 H new ATOM 0 HE2 TYR A 88 26.205 1.238 -8.913 1.00 16.82 H new ATOM 0 HH TYR A 88 26.263 -0.642 -7.616 1.00 17.61 H new ATOM 1308 N HIS A 89 23.929 6.013 -4.793 1.00 16.74 N ATOM 1309 CA HIS A 89 23.516 6.051 -3.396 1.00 17.45 C ATOM 1310 C HIS A 89 23.973 4.785 -2.683 1.00 17.29 C ATOM 1311 O HIS A 89 23.301 3.751 -2.722 1.00 17.63 O ATOM 1312 CB HIS A 89 21.995 6.221 -3.279 1.00 18.42 C ATOM 1313 CG HIS A 89 21.472 7.491 -3.894 1.00 18.85 C ATOM 1314 ND1 HIS A 89 20.134 7.814 -3.932 1.00 19.52 N ATOM 1315 CD2 HIS A 89 22.116 8.521 -4.501 1.00 18.83 C ATOM 1316 CE1 HIS A 89 19.976 8.970 -4.547 1.00 19.89 C ATOM 1317 NE2 HIS A 89 21.164 9.423 -4.897 1.00 19.49 N ATOM 0 H HIS A 89 23.165 5.884 -5.456 1.00 16.74 H new ATOM 0 HA HIS A 89 23.985 6.911 -2.919 1.00 17.45 H new ATOM 0 HB2 HIS A 89 21.507 5.371 -3.756 1.00 18.42 H new ATOM 0 HB3 HIS A 89 21.717 6.198 -2.225 1.00 18.42 H new ATOM 0 HD2 HIS A 89 23.182 8.612 -4.645 1.00 18.83 H new ATOM 0 HE1 HIS A 89 19.033 9.462 -4.733 1.00 19.89 H new ATOM 0 HE2 HIS A 89 21.345 10.301 -5.383 1.00 19.49 H new ATOM 1326 N SER A 90 25.146 4.869 -2.073 1.00 16.89 N ATOM 1327 CA SER A 90 25.758 3.730 -1.413 1.00 16.87 C ATOM 1328 C SER A 90 25.515 3.779 0.092 1.00 17.40 C ATOM 1329 O SER A 90 26.006 2.916 0.829 1.00 17.57 O ATOM 1330 CB SER A 90 27.261 3.714 -1.711 1.00 16.22 C ATOM 1331 OG SER A 90 27.907 2.618 -1.086 1.00 16.09 O ATOM 0 H SER A 90 25.697 5.726 -2.023 1.00 16.89 H new ATOM 0 HA SER A 90 25.304 2.816 -1.796 1.00 16.87 H new ATOM 0 HB2 SER A 90 27.418 3.663 -2.788 1.00 16.22 H new ATOM 0 HB3 SER A 90 27.710 4.646 -1.367 1.00 16.22 H new ATOM 0 HG SER A 90 27.437 2.391 -0.257 1.00 16.09 H new ATOM 1337 N ASP A 91 24.783 4.808 0.533 1.00 17.78 N ATOM 1338 CA ASP A 91 24.375 4.959 1.936 1.00 18.42 C ATOM 1339 C ASP A 91 25.529 5.415 2.827 1.00 18.69 C ATOM 1340 O ASP A 91 25.361 6.319 3.647 1.00 19.21 O ATOM 1341 CB ASP A 91 23.765 3.654 2.452 1.00 19.03 C ATOM 1342 CG ASP A 91 23.393 3.696 3.917 1.00 19.61 C ATOM 1343 OD1 ASP A 91 22.356 4.309 4.252 1.00 20.11 O ATOM 1344 OD2 ASP A 91 24.150 3.147 4.740 1.00 19.68 O ATOM 0 H ASP A 91 24.456 5.561 -0.073 1.00 17.78 H new ATOM 0 HA ASP A 91 23.618 5.743 1.977 1.00 18.42 H new ATOM 0 HB2 ASP A 91 22.875 3.422 1.867 1.00 19.03 H new ATOM 0 HB3 ASP A 91 24.474 2.842 2.289 1.00 19.03 H new ATOM 1349 N LYS A 92 26.692 4.797 2.647 1.00 18.45 N ATOM 1350 CA LYS A 92 27.896 5.119 3.407 1.00 18.78 C ATOM 1351 C LYS A 92 27.744 4.696 4.864 1.00 19.35 C ATOM 1352 O LYS A 92 27.567 5.531 5.753 1.00 19.92 O ATOM 1353 CB LYS A 92 28.244 6.615 3.328 1.00 18.38 C ATOM 1354 CG LYS A 92 28.429 7.169 1.916 1.00 18.13 C ATOM 1355 CD LYS A 92 29.711 6.673 1.260 1.00 18.03 C ATOM 1356 CE LYS A 92 29.599 5.236 0.776 1.00 17.98 C ATOM 1357 NZ LYS A 92 30.822 4.804 0.053 1.00 17.78 N ATOM 0 H LYS A 92 26.827 4.052 1.964 1.00 18.45 H new ATOM 0 HA LYS A 92 28.717 4.561 2.956 1.00 18.78 H new ATOM 0 HB2 LYS A 92 27.455 7.181 3.822 1.00 18.38 H new ATOM 0 HB3 LYS A 92 29.161 6.788 3.891 1.00 18.38 H new ATOM 0 HG2 LYS A 92 27.575 6.882 1.302 1.00 18.13 H new ATOM 0 HG3 LYS A 92 28.442 8.258 1.955 1.00 18.13 H new ATOM 0 HD2 LYS A 92 29.957 7.319 0.417 1.00 18.03 H new ATOM 0 HD3 LYS A 92 30.533 6.750 1.972 1.00 18.03 H new ATOM 0 HE2 LYS A 92 29.428 4.577 1.627 1.00 17.98 H new ATOM 0 HE3 LYS A 92 28.734 5.139 0.119 1.00 17.98 H new ATOM 0 HZ1 LYS A 92 30.709 3.819 -0.262 1.00 17.78 H new ATOM 0 HZ2 LYS A 92 30.971 5.417 -0.774 1.00 17.78 H new ATOM 0 HZ3 LYS A 92 31.643 4.873 0.688 1.00 17.78 H new ATOM 1371 N ARG A 93 27.801 3.394 5.103 1.00 19.31 N ATOM 1372 CA ARG A 93 27.688 2.870 6.455 1.00 19.91 C ATOM 1373 C ARG A 93 29.073 2.552 7.015 1.00 20.36 C ATOM 1374 O ARG A 93 29.912 1.966 6.333 1.00 20.53 O ATOM 1375 CB ARG A 93 26.771 1.630 6.510 1.00 20.42 C ATOM 1376 CG ARG A 93 27.192 0.472 5.611 1.00 20.25 C ATOM 1377 CD ARG A 93 26.789 0.692 4.158 1.00 20.24 C ATOM 1378 NE ARG A 93 25.336 0.780 3.991 1.00 20.81 N ATOM 1379 CZ ARG A 93 24.599 -0.139 3.358 1.00 21.12 C ATOM 1380 NH1 ARG A 93 25.181 -1.205 2.821 1.00 20.91 N ATOM 1381 NH2 ARG A 93 23.284 0.009 3.256 1.00 21.73 N ATOM 0 H ARG A 93 27.924 2.684 4.381 1.00 19.31 H new ATOM 0 HA ARG A 93 27.228 3.638 7.077 1.00 19.91 H new ATOM 0 HB2 ARG A 93 26.730 1.274 7.539 1.00 20.42 H new ATOM 0 HB3 ARG A 93 25.760 1.933 6.237 1.00 20.42 H new ATOM 0 HG2 ARG A 93 28.273 0.343 5.670 1.00 20.25 H new ATOM 0 HG3 ARG A 93 26.740 -0.451 5.975 1.00 20.25 H new ATOM 0 HD2 ARG A 93 27.251 1.608 3.790 1.00 20.24 H new ATOM 0 HD3 ARG A 93 27.174 -0.126 3.549 1.00 20.24 H new ATOM 0 HE ARG A 93 24.857 1.592 4.381 1.00 20.81 H new ATOM 0 HH11 ARG A 93 26.192 -1.324 2.891 1.00 20.91 H new ATOM 0 HH12 ARG A 93 24.617 -1.905 2.339 1.00 20.91 H new ATOM 0 HH21 ARG A 93 22.830 0.827 3.662 1.00 21.73 H new ATOM 0 HH22 ARG A 93 22.728 -0.696 2.772 1.00 21.73 H new ATOM 1395 N ARG A 94 29.300 2.957 8.251 1.00 20.65 N ATOM 1396 CA ARG A 94 30.602 2.832 8.893 1.00 21.26 C ATOM 1397 C ARG A 94 30.531 1.846 10.061 1.00 22.10 C ATOM 1398 O ARG A 94 29.754 2.039 10.995 1.00 22.42 O ATOM 1399 CB ARG A 94 31.053 4.219 9.368 1.00 21.34 C ATOM 1400 CG ARG A 94 32.288 4.224 10.255 1.00 21.30 C ATOM 1401 CD ARG A 94 33.538 3.752 9.531 1.00 21.28 C ATOM 1402 NE ARG A 94 34.695 3.790 10.419 1.00 21.49 N ATOM 1403 CZ ARG A 94 35.925 3.402 10.086 1.00 21.68 C ATOM 1404 NH1 ARG A 94 36.182 2.914 8.874 1.00 21.65 N ATOM 1405 NH2 ARG A 94 36.895 3.501 10.983 1.00 21.99 N ATOM 0 H ARG A 94 28.587 3.384 8.842 1.00 20.65 H new ATOM 0 HA ARG A 94 31.330 2.443 8.181 1.00 21.26 H new ATOM 0 HB2 ARG A 94 31.249 4.840 8.494 1.00 21.34 H new ATOM 0 HB3 ARG A 94 30.231 4.685 9.912 1.00 21.34 H new ATOM 0 HG2 ARG A 94 32.453 5.233 10.634 1.00 21.30 H new ATOM 0 HG3 ARG A 94 32.111 3.584 11.119 1.00 21.30 H new ATOM 0 HD2 ARG A 94 33.389 2.737 9.163 1.00 21.28 H new ATOM 0 HD3 ARG A 94 33.720 4.383 8.661 1.00 21.28 H new ATOM 0 HE ARG A 94 34.551 4.140 11.366 1.00 21.49 H new ATOM 0 HH11 ARG A 94 35.432 2.834 8.187 1.00 21.65 H new ATOM 0 HH12 ARG A 94 37.129 2.621 8.633 1.00 21.65 H new ATOM 0 HH21 ARG A 94 36.694 3.870 11.913 1.00 21.99 H new ATOM 0 HH22 ARG A 94 37.842 3.208 10.744 1.00 21.99 H new ATOM 1419 N LEU A 95 31.344 0.798 10.007 1.00 22.55 N ATOM 1420 CA LEU A 95 31.297 -0.260 11.010 1.00 23.45 C ATOM 1421 C LEU A 95 32.170 0.087 12.216 1.00 24.13 C ATOM 1422 O LEU A 95 31.762 -0.125 13.356 1.00 24.69 O ATOM 1423 CB LEU A 95 31.740 -1.604 10.416 1.00 23.73 C ATOM 1424 CG LEU A 95 30.795 -2.223 9.377 1.00 23.32 C ATOM 1425 CD1 LEU A 95 30.865 -1.477 8.056 1.00 23.09 C ATOM 1426 CD2 LEU A 95 31.122 -3.690 9.171 1.00 23.46 C ATOM 0 H LEU A 95 32.044 0.658 9.279 1.00 22.55 H new ATOM 0 HA LEU A 95 30.262 -0.349 11.341 1.00 23.45 H new ATOM 0 HB2 LEU A 95 32.718 -1.470 9.954 1.00 23.73 H new ATOM 0 HB3 LEU A 95 31.867 -2.315 11.232 1.00 23.73 H new ATOM 0 HG LEU A 95 29.777 -2.139 9.758 1.00 23.32 H new ATOM 0 HD11 LEU A 95 30.185 -1.939 7.341 1.00 23.09 H new ATOM 0 HD12 LEU A 95 30.578 -0.437 8.210 1.00 23.09 H new ATOM 0 HD13 LEU A 95 31.883 -1.519 7.668 1.00 23.09 H new ATOM 0 HD21 LEU A 95 30.443 -4.114 8.431 1.00 23.46 H new ATOM 0 HD22 LEU A 95 32.149 -3.788 8.819 1.00 23.46 H new ATOM 0 HD23 LEU A 95 31.010 -4.224 10.115 1.00 23.46 H new ATOM 1438 N SER A 96 33.379 0.594 11.947 1.00 24.14 N ATOM 1439 CA SER A 96 34.300 1.052 12.999 1.00 24.84 C ATOM 1440 C SER A 96 34.785 -0.104 13.885 1.00 25.65 C ATOM 1441 O SER A 96 35.398 0.115 14.928 1.00 26.06 O ATOM 1442 CB SER A 96 33.627 2.134 13.860 1.00 25.35 C ATOM 1443 OG SER A 96 33.218 3.240 13.067 1.00 25.01 O ATOM 0 H SER A 96 33.746 0.699 11.001 1.00 24.14 H new ATOM 0 HA SER A 96 35.175 1.474 12.505 1.00 24.84 H new ATOM 0 HB2 SER A 96 32.763 1.710 14.371 1.00 25.35 H new ATOM 0 HB3 SER A 96 34.319 2.472 14.631 1.00 25.35 H new ATOM 0 HG SER A 96 32.792 3.912 13.638 1.00 25.01 H new ATOM 1449 N LYS A 97 34.556 -1.335 13.436 1.00 25.95 N ATOM 1450 CA LYS A 97 34.863 -2.518 14.244 1.00 26.80 C ATOM 1451 C LYS A 97 36.354 -2.856 14.224 1.00 26.62 C ATOM 1452 O LYS A 97 36.859 -3.514 15.133 1.00 27.28 O ATOM 1453 CB LYS A 97 34.023 -3.713 13.772 1.00 27.31 C ATOM 1454 CG LYS A 97 34.163 -4.040 12.291 1.00 27.15 C ATOM 1455 CD LYS A 97 35.313 -5.000 12.018 1.00 27.42 C ATOM 1456 CE LYS A 97 35.391 -5.356 10.550 1.00 27.89 C ATOM 1457 NZ LYS A 97 36.346 -6.468 10.285 1.00 28.52 N ATOM 0 H LYS A 97 34.160 -1.542 12.519 1.00 25.95 H new ATOM 0 HA LYS A 97 34.604 -2.290 15.278 1.00 26.80 H new ATOM 0 HB2 LYS A 97 34.305 -4.591 14.353 1.00 27.31 H new ATOM 0 HB3 LYS A 97 32.974 -3.511 13.989 1.00 27.31 H new ATOM 0 HG2 LYS A 97 33.233 -4.478 11.928 1.00 27.15 H new ATOM 0 HG3 LYS A 97 34.321 -3.118 11.731 1.00 27.15 H new ATOM 0 HD2 LYS A 97 36.252 -4.547 12.335 1.00 27.42 H new ATOM 0 HD3 LYS A 97 35.181 -5.907 12.608 1.00 27.42 H new ATOM 0 HE2 LYS A 97 34.400 -5.639 10.195 1.00 27.89 H new ATOM 0 HE3 LYS A 97 35.694 -4.477 9.981 1.00 27.89 H new ATOM 0 HZ1 LYS A 97 36.364 -6.675 9.266 1.00 28.52 H new ATOM 0 HZ2 LYS A 97 37.298 -6.190 10.599 1.00 28.52 H new ATOM 0 HZ3 LYS A 97 36.044 -7.316 10.805 1.00 28.52 H new ATOM 1471 N ALA A 98 37.061 -2.388 13.202 1.00 25.81 N ATOM 1472 CA ALA A 98 38.477 -2.711 13.046 1.00 25.63 C ATOM 1473 C ALA A 98 39.352 -1.690 13.761 1.00 26.23 C ATOM 1474 O ALA A 98 40.563 -1.870 13.891 1.00 26.50 O ATOM 1475 CB ALA A 98 38.841 -2.793 11.571 1.00 25.39 C ATOM 0 H ALA A 98 36.681 -1.786 12.471 1.00 25.81 H new ATOM 0 HA ALA A 98 38.658 -3.684 13.503 1.00 25.63 H new ATOM 0 HB1 ALA A 98 39.899 -3.034 11.470 1.00 25.39 H new ATOM 0 HB2 ALA A 98 38.245 -3.569 11.092 1.00 25.39 H new ATOM 0 HB3 ALA A 98 38.640 -1.834 11.093 1.00 25.39 H new ATOM 1481 N SER A 99 38.723 -0.631 14.236 1.00 26.50 N ATOM 1482 CA SER A 99 39.430 0.437 14.913 1.00 27.15 C ATOM 1483 C SER A 99 39.663 0.081 16.379 1.00 27.64 C ATOM 1484 O SER A 99 40.641 0.512 16.986 1.00 28.00 O ATOM 1485 CB SER A 99 38.623 1.729 14.796 1.00 27.13 C ATOM 1486 OG SER A 99 38.063 1.854 13.496 1.00 26.99 O ATOM 0 H SER A 99 37.716 -0.488 14.164 1.00 26.50 H new ATOM 0 HA SER A 99 40.404 0.578 14.443 1.00 27.15 H new ATOM 0 HB2 SER A 99 37.828 1.736 15.542 1.00 27.13 H new ATOM 0 HB3 SER A 99 39.265 2.585 15.005 1.00 27.13 H new ATOM 0 HG SER A 99 37.548 2.686 13.440 1.00 26.99 H new ATOM 1492 N SER A 100 38.780 -0.736 16.932 1.00 27.71 N ATOM 1493 CA SER A 100 38.857 -1.092 18.341 1.00 28.26 C ATOM 1494 C SER A 100 39.767 -2.303 18.563 1.00 28.98 C ATOM 1495 O SER A 100 39.992 -2.712 19.703 1.00 29.38 O ATOM 1496 CB SER A 100 37.452 -1.378 18.884 1.00 28.27 C ATOM 1497 OG SER A 100 37.459 -1.537 20.294 1.00 28.11 O ATOM 0 H SER A 100 38.003 -1.164 16.428 1.00 27.71 H new ATOM 0 HA SER A 100 39.288 -0.249 18.881 1.00 28.26 H new ATOM 0 HB2 SER A 100 36.783 -0.561 18.613 1.00 28.27 H new ATOM 0 HB3 SER A 100 37.058 -2.281 18.417 1.00 28.27 H new ATOM 0 HG SER A 100 38.217 -2.100 20.556 1.00 28.11 H new ATOM 1503 N LYS A 101 40.271 -2.874 17.463 1.00 29.21 N ATOM 1504 CA LYS A 101 41.168 -4.032 17.519 1.00 29.94 C ATOM 1505 C LYS A 101 40.480 -5.231 18.165 1.00 30.44 C ATOM 1506 O LYS A 101 41.135 -6.163 18.629 1.00 31.19 O ATOM 1507 CB LYS A 101 42.448 -3.682 18.286 1.00 30.31 C ATOM 1508 CG LYS A 101 43.264 -2.580 17.638 1.00 30.08 C ATOM 1509 CD LYS A 101 43.888 -3.041 16.336 1.00 30.22 C ATOM 1510 CE LYS A 101 44.803 -1.975 15.765 1.00 30.12 C ATOM 1511 NZ LYS A 101 45.476 -2.422 14.518 1.00 30.42 N ATOM 0 H LYS A 101 40.070 -2.549 16.517 1.00 29.21 H new ATOM 0 HA LYS A 101 41.431 -4.301 16.496 1.00 29.94 H new ATOM 0 HB2 LYS A 101 42.183 -3.378 19.299 1.00 30.31 H new ATOM 0 HB3 LYS A 101 43.065 -4.576 18.373 1.00 30.31 H new ATOM 0 HG2 LYS A 101 42.626 -1.716 17.451 1.00 30.08 H new ATOM 0 HG3 LYS A 101 44.047 -2.256 18.323 1.00 30.08 H new ATOM 0 HD2 LYS A 101 44.453 -3.958 16.504 1.00 30.22 H new ATOM 0 HD3 LYS A 101 43.104 -3.276 15.616 1.00 30.22 H new ATOM 0 HE2 LYS A 101 44.225 -1.074 15.561 1.00 30.12 H new ATOM 0 HE3 LYS A 101 45.556 -1.709 16.507 1.00 30.12 H new ATOM 0 HZ1 LYS A 101 46.091 -1.662 14.164 1.00 30.42 H new ATOM 0 HZ2 LYS A 101 46.049 -3.267 14.717 1.00 30.42 H new ATOM 0 HZ3 LYS A 101 44.760 -2.651 13.800 1.00 30.42 H new ATOM 1525 N ALA A 102 39.150 -5.218 18.151 1.00 30.08 N ATOM 1526 CA ALA A 102 38.364 -6.249 18.808 1.00 30.58 C ATOM 1527 C ALA A 102 38.412 -7.571 18.045 1.00 30.59 C ATOM 1528 O ALA A 102 38.124 -8.624 18.612 1.00 30.68 O ATOM 1529 CB ALA A 102 36.927 -5.783 18.961 1.00 30.57 C ATOM 0 H ALA A 102 38.595 -4.499 17.688 1.00 30.08 H new ATOM 0 HA ALA A 102 38.797 -6.423 19.793 1.00 30.58 H new ATOM 0 HB1 ALA A 102 36.343 -6.560 19.454 1.00 30.57 H new ATOM 0 HB2 ALA A 102 36.901 -4.874 19.562 1.00 30.57 H new ATOM 0 HB3 ALA A 102 36.504 -5.580 17.977 1.00 30.57 H new ATOM 1535 N ARG A 103 38.737 -7.498 16.747 1.00 30.57 N ATOM 1536 CA ARG A 103 38.838 -8.681 15.872 1.00 30.65 C ATOM 1537 C ARG A 103 37.471 -9.289 15.551 1.00 30.77 C ATOM 1538 O ARG A 103 37.308 -9.913 14.503 1.00 30.46 O ATOM 1539 CB ARG A 103 39.744 -9.758 16.481 1.00 31.34 C ATOM 1540 CG ARG A 103 41.151 -9.780 15.909 1.00 31.28 C ATOM 1541 CD ARG A 103 41.124 -9.964 14.398 1.00 31.10 C ATOM 1542 NE ARG A 103 40.293 -11.105 13.992 1.00 31.07 N ATOM 1543 CZ ARG A 103 40.173 -11.538 12.736 1.00 31.03 C ATOM 1544 NH1 ARG A 103 40.868 -10.967 11.755 1.00 31.01 N ATOM 1545 NH2 ARG A 103 39.356 -12.544 12.470 1.00 31.09 N ATOM 0 H ARG A 103 38.938 -6.618 16.271 1.00 30.57 H new ATOM 0 HA ARG A 103 39.280 -8.326 14.941 1.00 30.65 H new ATOM 0 HB2 ARG A 103 39.803 -9.601 17.558 1.00 31.34 H new ATOM 0 HB3 ARG A 103 39.285 -10.734 16.326 1.00 31.34 H new ATOM 0 HG2 ARG A 103 41.662 -8.850 16.156 1.00 31.28 H new ATOM 0 HG3 ARG A 103 41.721 -10.588 16.367 1.00 31.28 H new ATOM 0 HD2 ARG A 103 40.744 -9.056 13.930 1.00 31.10 H new ATOM 0 HD3 ARG A 103 42.141 -10.109 14.033 1.00 31.10 H new ATOM 0 HE ARG A 103 39.774 -11.599 14.718 1.00 31.07 H new ATOM 0 HH11 ARG A 103 41.498 -10.192 11.961 1.00 31.01 H new ATOM 0 HH12 ARG A 103 40.770 -11.304 10.797 1.00 31.01 H new ATOM 0 HH21 ARG A 103 38.824 -12.982 13.222 1.00 31.09 H new ATOM 0 HH22 ARG A 103 39.258 -12.882 11.513 1.00 31.09 H new ATOM 1559 N SER A 104 36.509 -9.100 16.460 1.00 31.30 N ATOM 1560 CA SER A 104 35.170 -9.684 16.351 1.00 31.63 C ATOM 1561 C SER A 104 35.212 -11.177 16.694 1.00 32.26 C ATOM 1562 O SER A 104 34.244 -11.906 16.482 1.00 32.63 O ATOM 1563 CB SER A 104 34.572 -9.460 14.952 1.00 31.49 C ATOM 1564 OG SER A 104 34.558 -8.076 14.615 1.00 31.60 O ATOM 0 H SER A 104 36.640 -8.533 17.298 1.00 31.30 H new ATOM 0 HA SER A 104 34.522 -9.180 17.068 1.00 31.63 H new ATOM 0 HB2 SER A 104 35.153 -10.011 14.213 1.00 31.49 H new ATOM 0 HB3 SER A 104 33.557 -9.855 14.920 1.00 31.49 H new ATOM 0 HG SER A 104 34.175 -7.961 13.720 1.00 31.60 H new ATOM 1570 N ASP A 105 36.344 -11.616 17.240 1.00 32.44 N ATOM 1571 CA ASP A 105 36.499 -12.993 17.703 1.00 33.10 C ATOM 1572 C ASP A 105 36.551 -13.021 19.224 1.00 33.71 C ATOM 1573 O ASP A 105 36.090 -12.094 19.885 1.00 33.79 O ATOM 1574 CB ASP A 105 37.782 -13.629 17.149 1.00 32.92 C ATOM 1575 CG ASP A 105 37.775 -13.792 15.644 1.00 33.34 C ATOM 1576 OD1 ASP A 105 37.176 -14.771 15.143 1.00 33.43 O ATOM 1577 OD2 ASP A 105 38.398 -12.961 14.957 1.00 33.66 O ATOM 0 H ASP A 105 37.171 -11.034 17.373 1.00 32.44 H new ATOM 0 HA ASP A 105 35.643 -13.564 17.343 1.00 33.10 H new ATOM 0 HB2 ASP A 105 38.636 -13.015 17.436 1.00 32.92 H new ATOM 0 HB3 ASP A 105 37.923 -14.606 17.612 1.00 32.92 H new ATOM 1582 N ASP A 106 37.119 -14.082 19.783 1.00 34.21 N ATOM 1583 CA ASP A 106 37.303 -14.176 21.228 1.00 34.91 C ATOM 1584 C ASP A 106 38.732 -13.790 21.609 1.00 35.10 C ATOM 1585 O ASP A 106 39.189 -14.068 22.719 1.00 35.16 O ATOM 1586 CB ASP A 106 36.985 -15.589 21.717 1.00 35.27 C ATOM 1587 CG ASP A 106 37.953 -16.613 21.171 1.00 35.62 C ATOM 1588 OD1 ASP A 106 38.009 -16.786 19.939 1.00 35.68 O ATOM 1589 OD2 ASP A 106 38.659 -17.255 21.976 1.00 35.89 O ATOM 0 H ASP A 106 37.460 -14.889 19.260 1.00 34.21 H new ATOM 0 HA ASP A 106 36.615 -13.481 21.710 1.00 34.91 H new ATOM 0 HB2 ASP A 106 37.013 -15.610 22.806 1.00 35.27 H new ATOM 0 HB3 ASP A 106 35.971 -15.855 21.419 1.00 35.27 H new ATOM 1594 N LEU A 107 39.420 -13.149 20.665 1.00 35.27 N ATOM 1595 CA LEU A 107 40.763 -12.596 20.883 1.00 35.52 C ATOM 1596 C LEU A 107 41.824 -13.682 21.043 1.00 35.58 C ATOM 1597 O LEU A 107 42.927 -13.409 21.502 1.00 35.79 O ATOM 1598 CB LEU A 107 40.798 -11.651 22.100 1.00 36.22 C ATOM 1599 CG LEU A 107 40.139 -10.280 21.913 1.00 36.57 C ATOM 1600 CD1 LEU A 107 38.627 -10.402 21.839 1.00 36.81 C ATOM 1601 CD2 LEU A 107 40.532 -9.350 23.046 1.00 36.78 C ATOM 0 H LEU A 107 39.063 -12.996 19.722 1.00 35.27 H new ATOM 0 HA LEU A 107 41.000 -12.025 19.985 1.00 35.52 H new ATOM 0 HB2 LEU A 107 40.313 -12.153 22.937 1.00 36.22 H new ATOM 0 HB3 LEU A 107 41.839 -11.495 22.382 1.00 36.22 H new ATOM 0 HG LEU A 107 40.492 -9.863 20.970 1.00 36.57 H new ATOM 0 HD11 LEU A 107 38.188 -9.413 21.706 1.00 36.81 H new ATOM 0 HD12 LEU A 107 38.354 -11.036 20.996 1.00 36.81 H new ATOM 0 HD13 LEU A 107 38.252 -10.844 22.762 1.00 36.81 H new ATOM 0 HD21 LEU A 107 40.057 -8.379 22.901 1.00 36.78 H new ATOM 0 HD22 LEU A 107 40.206 -9.775 23.995 1.00 36.78 H new ATOM 0 HD23 LEU A 107 41.615 -9.226 23.056 1.00 36.78 H new ATOM 1613 N SER A 108 41.508 -14.909 20.645 1.00 35.45 N ATOM 1614 CA SER A 108 42.486 -15.987 20.703 1.00 35.56 C ATOM 1615 C SER A 108 43.087 -16.234 19.319 1.00 34.99 C ATOM 1616 O SER A 108 43.794 -17.221 19.102 1.00 35.21 O ATOM 1617 CB SER A 108 41.837 -17.261 21.238 1.00 35.92 C ATOM 1618 OG SER A 108 40.749 -17.659 20.428 1.00 36.22 O ATOM 0 H SER A 108 40.594 -15.180 20.283 1.00 35.45 H new ATOM 0 HA SER A 108 43.288 -15.695 21.381 1.00 35.56 H new ATOM 0 HB2 SER A 108 42.577 -18.061 21.277 1.00 35.92 H new ATOM 0 HB3 SER A 108 41.493 -17.096 22.259 1.00 35.92 H new ATOM 0 HG SER A 108 39.983 -17.883 20.996 1.00 36.22 H new ATOM 1624 N VAL A 109 42.799 -15.328 18.393 1.00 34.34 N ATOM 1625 CA VAL A 109 43.305 -15.433 17.029 1.00 33.84 C ATOM 1626 C VAL A 109 44.397 -14.398 16.792 1.00 33.57 C ATOM 1627 O VAL A 109 45.584 -14.749 16.929 1.00 33.71 O ATOM 1628 CB VAL A 109 42.187 -15.242 15.983 1.00 33.11 C ATOM 1629 CG1 VAL A 109 42.714 -15.485 14.572 1.00 32.97 C ATOM 1630 CG2 VAL A 109 41.012 -16.158 16.283 1.00 33.19 C ATOM 1631 OXT VAL A 109 44.062 -13.231 16.509 1.00 33.28 O ATOM 0 H VAL A 109 42.215 -14.509 18.562 1.00 34.34 H new ATOM 0 HA VAL A 109 43.712 -16.437 16.912 1.00 33.84 H new ATOM 0 HB VAL A 109 41.841 -14.210 16.041 1.00 33.11 H new ATOM 0 HG11 VAL A 109 41.907 -15.344 13.853 1.00 32.97 H new ATOM 0 HG12 VAL A 109 43.518 -14.781 14.358 1.00 32.97 H new ATOM 0 HG13 VAL A 109 43.094 -16.504 14.496 1.00 32.97 H new ATOM 0 HG21 VAL A 109 40.234 -16.009 15.534 1.00 33.19 H new ATOM 0 HG22 VAL A 109 41.344 -17.196 16.259 1.00 33.19 H new ATOM 0 HG23 VAL A 109 40.614 -15.927 17.271 1.00 33.19 H new TER 1641 VAL A 109