USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 ASN : amide:sc= -7.24! C(o=-9.9!,f=-8!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -2.61! K(o=-9.9!,f=-7.3) USER MOD Set 2.1: A 53 SER OG : rot 112:sc= 0.0194 USER MOD Set 2.2: A 68 ASN : amide:sc= -0.029 X(o=-0.11,f=-0.12) USER MOD Set 2.3: A 95 GLN : amide:sc= -0.0998 X(o=-0.11,f=-0.6) USER MOD Set 3.1: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 75 MET CE :methyl 175:sc= -2.32! (180deg=-2.36!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 108:sc= 0.00767 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 177:sc= 0.697 USER MOD Single : A 31 THR OG1 : rot 125:sc= 0.558 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0778 USER MOD Single : A 40 THR OG1 : rot 176:sc= 0.076 USER MOD Single : A 43 SER OG : rot 130:sc= -0.0266 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -1.62! K(o=-1.6!,f=0.11) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 106:sc= 0.474 USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= -0.0417 (180deg=-0.295) USER MOD Single : A 69 THR OG1 : rot 94:sc= 1.21 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.295 X(o=-0.29,f=-0.063) USER MOD Single : A 76 GLN : amide:sc= -1.98 K(o=-2,f=-5.1!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 81 ASN : amide:sc= -0.839 X(o=-0.84,f=-0.39) USER MOD Single : A 83 MET CE :methyl 164:sc=-0.00261 (180deg=-0.133) USER MOD Single : A 86 THR OG1 : rot 65:sc= 0.00638 USER MOD Single : A 88 TYR OH : rot 110:sc= 0 USER MOD Single : A 93 MET CE :methyl 144:sc= -0.439 (180deg=-1.43) USER MOD Single : A 97 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.348) USER MOD Single : A 100 SER OG : rot 34:sc= 0.2 USER MOD Single : A 103 SER OG : rot -74:sc= 1.3 USER MOD Single : A 104 SER OG : rot -54:sc= -0.255! USER MOD Single : A 111 THR OG1 : rot -165:sc= 1.24 USER MOD Single : A 112 GLN : amide:sc= -0.133 K(o=-0.13,f=-3.6!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.337 16.877 -25.758 1.00 0.00 N ATOM 2 CA GLY A 1 -17.222 15.446 -25.973 1.00 0.00 C ATOM 3 C GLY A 1 -16.115 15.094 -26.948 1.00 0.00 C ATOM 4 O GLY A 1 -16.230 15.349 -28.147 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.107 17.066 -25.085 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.443 17.243 -25.374 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.544 17.348 -26.662 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.033 14.952 -25.020 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.170 15.061 -26.349 1.00 0.00 H new ATOM 8 N SER A 2 -15.039 14.508 -26.433 1.00 0.00 N ATOM 9 CA SER A 2 -13.905 14.125 -27.265 1.00 0.00 C ATOM 10 C SER A 2 -12.886 13.325 -26.460 1.00 0.00 C ATOM 11 O SER A 2 -13.026 13.161 -25.248 1.00 0.00 O ATOM 12 CB SER A 2 -13.239 15.368 -27.860 1.00 0.00 C ATOM 13 OG SER A 2 -12.646 15.078 -29.114 1.00 0.00 O ATOM 0 H SER A 2 -14.929 14.288 -25.443 1.00 0.00 H new ATOM 0 HA SER A 2 -14.276 13.497 -28.075 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.979 16.159 -27.979 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.480 15.742 -27.173 1.00 0.00 H new ATOM 0 HG SER A 2 -12.229 15.888 -29.474 1.00 0.00 H new ATOM 19 N SER A 3 -11.859 12.828 -27.143 1.00 0.00 N ATOM 20 CA SER A 3 -10.818 12.041 -26.494 1.00 0.00 C ATOM 21 C SER A 3 -9.447 12.364 -27.081 1.00 0.00 C ATOM 22 O SER A 3 -9.343 12.978 -28.142 1.00 0.00 O ATOM 23 CB SER A 3 -11.110 10.547 -26.643 1.00 0.00 C ATOM 24 OG SER A 3 -12.410 10.233 -26.174 1.00 0.00 O ATOM 0 H SER A 3 -11.726 12.957 -28.146 1.00 0.00 H new ATOM 0 HA SER A 3 -10.810 12.298 -25.435 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.018 10.258 -27.690 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.370 9.971 -26.087 1.00 0.00 H new ATOM 0 HG SER A 3 -12.573 9.273 -26.281 1.00 0.00 H new ATOM 30 N GLY A 4 -8.397 11.944 -26.383 1.00 0.00 N ATOM 31 CA GLY A 4 -7.046 12.197 -26.850 1.00 0.00 C ATOM 32 C GLY A 4 -5.997 11.809 -25.827 1.00 0.00 C ATOM 33 O GLY A 4 -6.029 12.273 -24.687 1.00 0.00 O ATOM 0 H GLY A 4 -8.457 11.433 -25.502 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.873 11.641 -27.772 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.940 13.255 -27.091 1.00 0.00 H new ATOM 37 N SER A 5 -5.065 10.953 -26.233 1.00 0.00 N ATOM 38 CA SER A 5 -4.004 10.497 -25.342 1.00 0.00 C ATOM 39 C SER A 5 -2.647 11.020 -25.801 1.00 0.00 C ATOM 40 O SER A 5 -2.178 10.690 -26.891 1.00 0.00 O ATOM 41 CB SER A 5 -3.981 8.969 -25.282 1.00 0.00 C ATOM 42 OG SER A 5 -3.062 8.511 -24.305 1.00 0.00 O ATOM 0 H SER A 5 -5.023 10.561 -27.174 1.00 0.00 H new ATOM 0 HA SER A 5 -4.207 10.889 -24.345 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.979 8.596 -25.051 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.709 8.568 -26.258 1.00 0.00 H new ATOM 0 HG SER A 5 -3.067 7.531 -24.285 1.00 0.00 H new ATOM 48 N SER A 6 -2.020 11.839 -24.962 1.00 0.00 N ATOM 49 CA SER A 6 -0.718 12.411 -25.282 1.00 0.00 C ATOM 50 C SER A 6 -0.054 12.984 -24.033 1.00 0.00 C ATOM 51 O SER A 6 -0.677 13.717 -23.266 1.00 0.00 O ATOM 52 CB SER A 6 -0.865 13.505 -26.342 1.00 0.00 C ATOM 53 OG SER A 6 -1.869 14.436 -25.978 1.00 0.00 O ATOM 0 H SER A 6 -2.393 12.121 -24.056 1.00 0.00 H new ATOM 0 HA SER A 6 -0.086 11.615 -25.676 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.086 14.022 -26.470 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.114 13.054 -27.303 1.00 0.00 H new ATOM 0 HG SER A 6 -1.942 15.126 -26.670 1.00 0.00 H new ATOM 59 N GLY A 7 1.216 12.642 -23.836 1.00 0.00 N ATOM 60 CA GLY A 7 1.944 13.129 -22.679 1.00 0.00 C ATOM 61 C GLY A 7 3.445 12.980 -22.834 1.00 0.00 C ATOM 62 O GLY A 7 3.942 11.884 -23.088 1.00 0.00 O ATOM 0 H GLY A 7 1.753 12.037 -24.457 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.701 14.179 -22.516 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.617 12.585 -21.793 1.00 0.00 H new ATOM 66 N GLU A 8 4.167 14.086 -22.681 1.00 0.00 N ATOM 67 CA GLU A 8 5.619 14.072 -22.808 1.00 0.00 C ATOM 68 C GLU A 8 6.285 14.071 -21.436 1.00 0.00 C ATOM 69 O GLU A 8 5.669 14.434 -20.433 1.00 0.00 O ATOM 70 CB GLU A 8 6.094 15.282 -23.617 1.00 0.00 C ATOM 71 CG GLU A 8 7.588 15.281 -23.893 1.00 0.00 C ATOM 72 CD GLU A 8 8.078 13.957 -24.447 1.00 0.00 C ATOM 73 OE1 GLU A 8 7.281 13.260 -25.109 1.00 0.00 O ATOM 74 OE2 GLU A 8 9.258 13.618 -24.219 1.00 0.00 O ATOM 0 H GLU A 8 3.770 15.002 -22.469 1.00 0.00 H new ATOM 0 HA GLU A 8 5.904 13.159 -23.331 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.558 15.307 -24.566 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.833 16.193 -23.079 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.824 16.076 -24.600 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.124 15.506 -22.971 1.00 0.00 H new ATOM 81 N HIS A 9 7.549 13.660 -21.398 1.00 0.00 N ATOM 82 CA HIS A 9 8.300 13.611 -20.148 1.00 0.00 C ATOM 83 C HIS A 9 9.534 14.505 -20.221 1.00 0.00 C ATOM 84 O HIS A 9 10.084 14.734 -21.298 1.00 0.00 O ATOM 85 CB HIS A 9 8.715 12.174 -19.834 1.00 0.00 C ATOM 86 CG HIS A 9 7.564 11.217 -19.776 1.00 0.00 C ATOM 87 ND1 HIS A 9 7.583 9.979 -20.383 1.00 0.00 N ATOM 88 CD2 HIS A 9 6.355 11.322 -19.177 1.00 0.00 C ATOM 89 CE1 HIS A 9 6.435 9.364 -20.162 1.00 0.00 C ATOM 90 NE2 HIS A 9 5.672 10.158 -19.432 1.00 0.00 N ATOM 0 H HIS A 9 8.074 13.356 -22.218 1.00 0.00 H new ATOM 0 HA HIS A 9 7.654 13.977 -19.350 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.421 11.835 -20.592 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.240 12.157 -18.879 1.00 0.00 H new ATOM 0 HD2 HIS A 9 5.994 12.164 -18.605 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.166 8.380 -20.517 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.729 9.942 -19.110 1.00 0.00 H new ATOM 99 N ALA A 10 9.964 15.008 -19.068 1.00 0.00 N ATOM 100 CA ALA A 10 11.133 15.875 -19.001 1.00 0.00 C ATOM 101 C ALA A 10 12.267 15.210 -18.228 1.00 0.00 C ATOM 102 O ALA A 10 12.452 15.438 -17.033 1.00 0.00 O ATOM 103 CB ALA A 10 10.767 17.207 -18.363 1.00 0.00 C ATOM 0 H ALA A 10 9.519 14.829 -18.168 1.00 0.00 H new ATOM 0 HA ALA A 10 11.479 16.055 -20.019 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.650 17.844 -18.320 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.996 17.696 -18.958 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.393 17.036 -17.354 1.00 0.00 H new ATOM 109 N PRO A 11 13.044 14.367 -18.925 1.00 0.00 N ATOM 110 CA PRO A 11 14.173 13.651 -18.323 1.00 0.00 C ATOM 111 C PRO A 11 15.328 14.582 -17.972 1.00 0.00 C ATOM 112 O PRO A 11 16.371 14.138 -17.493 1.00 0.00 O ATOM 113 CB PRO A 11 14.592 12.667 -19.417 1.00 0.00 C ATOM 114 CG PRO A 11 14.140 13.298 -20.688 1.00 0.00 C ATOM 115 CD PRO A 11 12.880 14.048 -20.353 1.00 0.00 C ATOM 0 HA PRO A 11 13.898 13.172 -17.383 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.670 12.509 -19.415 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.127 11.692 -19.272 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.902 13.971 -21.082 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.954 12.544 -21.453 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.776 14.949 -20.957 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.992 13.441 -20.530 1.00 0.00 H new ATOM 123 N ALA A 12 15.136 15.874 -18.213 1.00 0.00 N ATOM 124 CA ALA A 12 16.161 16.868 -17.920 1.00 0.00 C ATOM 125 C ALA A 12 16.014 17.407 -16.501 1.00 0.00 C ATOM 126 O ALA A 12 15.016 17.148 -15.827 1.00 0.00 O ATOM 127 CB ALA A 12 16.098 18.005 -18.928 1.00 0.00 C ATOM 0 H ALA A 12 14.279 16.258 -18.611 1.00 0.00 H new ATOM 0 HA ALA A 12 17.134 16.383 -17.997 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.869 18.740 -18.696 1.00 0.00 H new ATOM 0 HB2 ALA A 12 16.261 17.611 -19.931 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.118 18.480 -18.880 1.00 0.00 H new ATOM 133 N THR A 13 17.014 18.158 -16.051 1.00 0.00 N ATOM 134 CA THR A 13 16.997 18.732 -14.712 1.00 0.00 C ATOM 135 C THR A 13 16.463 17.732 -13.692 1.00 0.00 C ATOM 136 O THR A 13 15.526 18.026 -12.950 1.00 0.00 O ATOM 137 CB THR A 13 16.138 20.010 -14.659 1.00 0.00 C ATOM 138 OG1 THR A 13 16.572 20.934 -15.663 1.00 0.00 O ATOM 139 CG2 THR A 13 16.224 20.664 -13.288 1.00 0.00 C ATOM 0 H THR A 13 17.847 18.383 -16.595 1.00 0.00 H new ATOM 0 HA THR A 13 18.028 18.985 -14.464 1.00 0.00 H new ATOM 0 HB THR A 13 15.101 19.732 -14.846 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.020 21.743 -15.624 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.609 21.564 -13.275 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.865 19.968 -12.530 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.260 20.929 -13.076 1.00 0.00 H new ATOM 147 N THR A 14 17.067 16.548 -13.660 1.00 0.00 N ATOM 148 CA THR A 14 16.652 15.504 -12.731 1.00 0.00 C ATOM 149 C THR A 14 17.630 15.382 -11.569 1.00 0.00 C ATOM 150 O THR A 14 18.843 15.325 -11.768 1.00 0.00 O ATOM 151 CB THR A 14 16.536 14.139 -13.435 1.00 0.00 C ATOM 152 OG1 THR A 14 15.404 14.134 -14.311 1.00 0.00 O ATOM 153 CG2 THR A 14 16.403 13.015 -12.419 1.00 0.00 C ATOM 0 H THR A 14 17.845 16.288 -14.267 1.00 0.00 H new ATOM 0 HA THR A 14 15.672 15.792 -12.349 1.00 0.00 H new ATOM 0 HB THR A 14 17.444 13.976 -14.015 1.00 0.00 H new ATOM 0 HG1 THR A 14 15.710 14.153 -15.242 1.00 0.00 H new ATOM 0 HG21 THR A 14 16.323 12.061 -12.940 1.00 0.00 H new ATOM 0 HG22 THR A 14 17.281 13.003 -11.773 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.510 13.175 -11.815 1.00 0.00 H new ATOM 161 N GLY A 15 17.095 15.342 -10.352 1.00 0.00 N ATOM 162 CA GLY A 15 17.935 15.226 -9.175 1.00 0.00 C ATOM 163 C GLY A 15 17.615 13.994 -8.352 1.00 0.00 C ATOM 164 O GLY A 15 17.228 12.952 -8.881 1.00 0.00 O ATOM 0 H GLY A 15 16.094 15.388 -10.161 1.00 0.00 H new ATOM 0 HA2 GLY A 15 18.981 15.193 -9.481 1.00 0.00 H new ATOM 0 HA3 GLY A 15 17.812 16.115 -8.556 1.00 0.00 H new ATOM 168 N PRO A 16 17.777 14.105 -7.025 1.00 0.00 N ATOM 169 CA PRO A 16 17.509 13.001 -6.100 1.00 0.00 C ATOM 170 C PRO A 16 16.021 12.685 -5.989 1.00 0.00 C ATOM 171 O PRO A 16 15.175 13.566 -6.153 1.00 0.00 O ATOM 172 CB PRO A 16 18.046 13.519 -4.763 1.00 0.00 C ATOM 173 CG PRO A 16 17.980 15.003 -4.878 1.00 0.00 C ATOM 174 CD PRO A 16 18.236 15.318 -6.326 1.00 0.00 C ATOM 0 HA PRO A 16 17.973 12.072 -6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 16 17.444 13.159 -3.928 1.00 0.00 H new ATOM 0 HB3 PRO A 16 19.067 13.180 -4.589 1.00 0.00 H new ATOM 0 HG2 PRO A 16 17.005 15.376 -4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 16 18.724 15.477 -4.238 1.00 0.00 H new ATOM 0 HD2 PRO A 16 17.684 16.201 -6.649 1.00 0.00 H new ATOM 0 HD3 PRO A 16 19.291 15.515 -6.514 1.00 0.00 H new ATOM 182 N LEU A 17 15.707 11.425 -5.711 1.00 0.00 N ATOM 183 CA LEU A 17 14.320 10.993 -5.578 1.00 0.00 C ATOM 184 C LEU A 17 13.950 10.794 -4.112 1.00 0.00 C ATOM 185 O LEU A 17 14.795 10.498 -3.267 1.00 0.00 O ATOM 186 CB LEU A 17 14.093 9.695 -6.354 1.00 0.00 C ATOM 187 CG LEU A 17 14.109 9.812 -7.878 1.00 0.00 C ATOM 188 CD1 LEU A 17 14.080 8.433 -8.520 1.00 0.00 C ATOM 189 CD2 LEU A 17 12.934 10.651 -8.360 1.00 0.00 C ATOM 0 H LEU A 17 16.394 10.684 -5.573 1.00 0.00 H new ATOM 0 HA LEU A 17 13.681 11.773 -5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.859 8.979 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.132 9.278 -6.052 1.00 0.00 H new ATOM 0 HG LEU A 17 15.032 10.309 -8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.092 8.536 -9.605 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.953 7.864 -8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.174 7.909 -8.215 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.961 10.724 -9.447 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.000 10.181 -8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.998 11.650 -7.928 1.00 0.00 H new ATOM 201 N PRO A 18 12.656 10.959 -3.800 1.00 0.00 N ATOM 202 CA PRO A 18 12.143 10.800 -2.436 1.00 0.00 C ATOM 203 C PRO A 18 12.171 9.348 -1.972 1.00 0.00 C ATOM 204 O PRO A 18 12.785 8.494 -2.611 1.00 0.00 O ATOM 205 CB PRO A 18 10.700 11.302 -2.539 1.00 0.00 C ATOM 206 CG PRO A 18 10.330 11.101 -3.968 1.00 0.00 C ATOM 207 CD PRO A 18 11.593 11.314 -4.756 1.00 0.00 C ATOM 0 HA PRO A 18 12.746 11.342 -1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.038 10.744 -1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.625 12.351 -2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.932 10.099 -4.131 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.556 11.805 -4.274 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.624 10.683 -5.644 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.686 12.346 -5.095 1.00 0.00 H new ATOM 215 N SER A 19 11.501 9.075 -0.857 1.00 0.00 N ATOM 216 CA SER A 19 11.452 7.726 -0.306 1.00 0.00 C ATOM 217 C SER A 19 10.014 7.315 -0.002 1.00 0.00 C ATOM 218 O SER A 19 9.209 8.126 0.455 1.00 0.00 O ATOM 219 CB SER A 19 12.299 7.640 0.966 1.00 0.00 C ATOM 220 OG SER A 19 12.818 6.334 1.146 1.00 0.00 O ATOM 0 H SER A 19 10.985 9.770 -0.318 1.00 0.00 H new ATOM 0 HA SER A 19 11.858 7.041 -1.051 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.119 8.356 0.910 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.693 7.916 1.829 1.00 0.00 H new ATOM 0 HG SER A 19 13.357 6.306 1.964 1.00 0.00 H new ATOM 226 N ALA A 20 9.700 6.050 -0.258 1.00 0.00 N ATOM 227 CA ALA A 20 8.361 5.530 -0.010 1.00 0.00 C ATOM 228 C ALA A 20 7.881 5.894 1.391 1.00 0.00 C ATOM 229 O ALA A 20 8.671 6.054 2.321 1.00 0.00 O ATOM 230 CB ALA A 20 8.337 4.021 -0.203 1.00 0.00 C ATOM 0 H ALA A 20 10.355 5.366 -0.637 1.00 0.00 H new ATOM 0 HA ALA A 20 7.681 5.988 -0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.331 3.646 -0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.628 3.780 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.034 3.554 0.493 1.00 0.00 H new ATOM 236 N PRO A 21 6.556 6.029 1.547 1.00 0.00 N ATOM 237 CA PRO A 21 5.941 6.376 2.831 1.00 0.00 C ATOM 238 C PRO A 21 6.044 5.244 3.848 1.00 0.00 C ATOM 239 O PRO A 21 6.388 4.114 3.500 1.00 0.00 O ATOM 240 CB PRO A 21 4.478 6.635 2.466 1.00 0.00 C ATOM 241 CG PRO A 21 4.250 5.840 1.227 1.00 0.00 C ATOM 242 CD PRO A 21 5.555 5.853 0.481 1.00 0.00 C ATOM 0 HA PRO A 21 6.434 7.227 3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.809 6.321 3.267 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.294 7.696 2.295 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.948 4.821 1.467 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.452 6.275 0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.713 4.925 -0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.595 6.665 -0.245 1.00 0.00 H new ATOM 250 N ARG A 22 5.744 5.554 5.105 1.00 0.00 N ATOM 251 CA ARG A 22 5.803 4.563 6.172 1.00 0.00 C ATOM 252 C ARG A 22 4.422 4.335 6.779 1.00 0.00 C ATOM 253 O ARG A 22 3.428 4.888 6.310 1.00 0.00 O ATOM 254 CB ARG A 22 6.783 5.010 7.258 1.00 0.00 C ATOM 255 CG ARG A 22 8.120 5.486 6.714 1.00 0.00 C ATOM 256 CD ARG A 22 8.875 6.317 7.740 1.00 0.00 C ATOM 257 NE ARG A 22 8.214 7.592 8.004 1.00 0.00 N ATOM 258 CZ ARG A 22 8.477 8.351 9.062 1.00 0.00 C ATOM 259 NH1 ARG A 22 9.383 7.966 9.950 1.00 0.00 N ATOM 260 NH2 ARG A 22 7.834 9.499 9.233 1.00 0.00 N ATOM 0 H ARG A 22 5.457 6.484 5.409 1.00 0.00 H new ATOM 0 HA ARG A 22 6.151 3.623 5.743 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.329 5.814 7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.954 4.181 7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.724 4.626 6.426 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.958 6.078 5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.962 5.754 8.669 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.888 6.501 7.383 1.00 0.00 H new ATOM 0 HE ARG A 22 7.512 7.918 7.340 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.880 7.085 9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.583 8.551 10.761 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.137 9.800 8.552 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.037 10.081 10.046 1.00 0.00 H new ATOM 274 N ASP A 23 4.370 3.516 7.825 1.00 0.00 N ATOM 275 CA ASP A 23 3.111 3.215 8.497 1.00 0.00 C ATOM 276 C ASP A 23 2.044 2.797 7.491 1.00 0.00 C ATOM 277 O ASP A 23 0.878 3.175 7.614 1.00 0.00 O ATOM 278 CB ASP A 23 2.631 4.429 9.295 1.00 0.00 C ATOM 279 CG ASP A 23 3.250 4.494 10.677 1.00 0.00 C ATOM 280 OD1 ASP A 23 4.463 4.774 10.772 1.00 0.00 O ATOM 281 OD2 ASP A 23 2.520 4.265 11.665 1.00 0.00 O ATOM 0 H ASP A 23 5.184 3.050 8.225 1.00 0.00 H new ATOM 0 HA ASP A 23 3.283 2.385 9.182 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.875 5.340 8.748 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.546 4.393 9.387 1.00 0.00 H new ATOM 286 N VAL A 24 2.450 2.017 6.494 1.00 0.00 N ATOM 287 CA VAL A 24 1.529 1.548 5.466 1.00 0.00 C ATOM 288 C VAL A 24 0.593 0.476 6.015 1.00 0.00 C ATOM 289 O VAL A 24 1.028 -0.615 6.383 1.00 0.00 O ATOM 290 CB VAL A 24 2.286 0.979 4.251 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.310 0.407 3.234 1.00 0.00 C ATOM 292 CG2 VAL A 24 3.160 2.052 3.619 1.00 0.00 C ATOM 0 H VAL A 24 3.411 1.697 6.377 1.00 0.00 H new ATOM 0 HA VAL A 24 0.943 2.411 5.148 1.00 0.00 H new ATOM 0 HB VAL A 24 2.932 0.171 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.863 0.010 2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.731 -0.393 3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.636 1.194 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.688 1.633 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.536 2.883 3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.884 2.410 4.351 1.00 0.00 H new ATOM 302 N VAL A 25 -0.697 0.795 6.066 1.00 0.00 N ATOM 303 CA VAL A 25 -1.696 -0.141 6.568 1.00 0.00 C ATOM 304 C VAL A 25 -3.046 0.084 5.896 1.00 0.00 C ATOM 305 O VAL A 25 -3.213 1.019 5.113 1.00 0.00 O ATOM 306 CB VAL A 25 -1.867 -0.014 8.093 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.516 -0.073 8.789 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.601 1.272 8.442 1.00 0.00 C ATOM 0 H VAL A 25 -1.074 1.694 5.766 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.338 -1.143 6.332 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.466 -0.854 8.445 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.657 0.018 9.866 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.033 -1.024 8.566 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.112 0.745 8.435 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.713 1.345 9.524 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.031 2.127 8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.586 1.267 7.975 1.00 0.00 H new ATOM 318 N ALA A 26 -4.007 -0.779 6.207 1.00 0.00 N ATOM 319 CA ALA A 26 -5.344 -0.674 5.635 1.00 0.00 C ATOM 320 C ALA A 26 -6.354 -0.220 6.683 1.00 0.00 C ATOM 321 O ALA A 26 -6.768 -1.000 7.540 1.00 0.00 O ATOM 322 CB ALA A 26 -5.767 -2.005 5.033 1.00 0.00 C ATOM 0 H ALA A 26 -3.885 -1.559 6.852 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.317 0.076 4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.767 -1.911 4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.066 -2.289 4.248 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.772 -2.770 5.809 1.00 0.00 H new ATOM 328 N SER A 27 -6.748 1.048 6.608 1.00 0.00 N ATOM 329 CA SER A 27 -7.708 1.607 7.553 1.00 0.00 C ATOM 330 C SER A 27 -9.004 0.803 7.552 1.00 0.00 C ATOM 331 O SER A 27 -9.713 0.742 8.558 1.00 0.00 O ATOM 332 CB SER A 27 -8.001 3.069 7.210 1.00 0.00 C ATOM 333 OG SER A 27 -9.179 3.518 7.856 1.00 0.00 O ATOM 0 H SER A 27 -6.417 1.707 5.903 1.00 0.00 H new ATOM 0 HA SER A 27 -7.270 1.555 8.550 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.158 3.692 7.510 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.110 3.178 6.131 1.00 0.00 H new ATOM 0 HG SER A 27 -9.343 4.455 7.622 1.00 0.00 H new ATOM 339 N LEU A 28 -9.308 0.186 6.415 1.00 0.00 N ATOM 340 CA LEU A 28 -10.520 -0.616 6.281 1.00 0.00 C ATOM 341 C LEU A 28 -10.395 -1.601 5.122 1.00 0.00 C ATOM 342 O LEU A 28 -9.698 -1.338 4.142 1.00 0.00 O ATOM 343 CB LEU A 28 -11.733 0.290 6.067 1.00 0.00 C ATOM 344 CG LEU A 28 -12.987 -0.387 5.511 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.240 0.311 6.017 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.958 -0.398 3.990 1.00 0.00 C ATOM 0 H LEU A 28 -8.733 0.225 5.574 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.656 -1.183 7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.987 0.754 7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.446 1.093 5.388 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.004 -1.419 5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.122 -0.185 5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.267 0.266 7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.230 1.353 5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.858 -0.883 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.916 0.626 3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.080 -0.945 3.647 1.00 0.00 H new ATOM 358 N VAL A 29 -11.077 -2.735 5.240 1.00 0.00 N ATOM 359 CA VAL A 29 -11.046 -3.758 4.202 1.00 0.00 C ATOM 360 C VAL A 29 -12.455 -4.128 3.752 1.00 0.00 C ATOM 361 O VAL A 29 -13.153 -4.886 4.425 1.00 0.00 O ATOM 362 CB VAL A 29 -10.324 -5.029 4.687 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.526 -6.168 3.700 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.843 -4.752 4.899 1.00 0.00 C ATOM 0 H VAL A 29 -11.658 -2.969 6.045 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.497 -3.337 3.360 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.755 -5.328 5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.009 -7.057 4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.591 -6.382 3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.124 -5.883 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.348 -5.661 5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.395 -4.427 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.723 -3.969 5.648 1.00 0.00 H new ATOM 374 N SER A 30 -12.866 -3.587 2.609 1.00 0.00 N ATOM 375 CA SER A 30 -14.194 -3.858 2.070 1.00 0.00 C ATOM 376 C SER A 30 -14.179 -5.102 1.188 1.00 0.00 C ATOM 377 O SER A 30 -13.119 -5.569 0.770 1.00 0.00 O ATOM 378 CB SER A 30 -14.696 -2.656 1.268 1.00 0.00 C ATOM 379 OG SER A 30 -15.766 -3.024 0.415 1.00 0.00 O ATOM 0 H SER A 30 -12.299 -2.959 2.039 1.00 0.00 H new ATOM 0 HA SER A 30 -14.870 -4.036 2.907 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.023 -1.871 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.880 -2.243 0.675 1.00 0.00 H new ATOM 0 HG SER A 30 -16.099 -2.230 -0.053 1.00 0.00 H new ATOM 385 N THR A 31 -15.364 -5.637 0.909 1.00 0.00 N ATOM 386 CA THR A 31 -15.489 -6.827 0.078 1.00 0.00 C ATOM 387 C THR A 31 -15.281 -6.494 -1.395 1.00 0.00 C ATOM 388 O THR A 31 -14.948 -7.367 -2.198 1.00 0.00 O ATOM 389 CB THR A 31 -16.867 -7.492 0.252 1.00 0.00 C ATOM 390 OG1 THR A 31 -17.906 -6.526 0.054 1.00 0.00 O ATOM 391 CG2 THR A 31 -16.999 -8.110 1.636 1.00 0.00 C ATOM 0 H THR A 31 -16.251 -5.264 1.247 1.00 0.00 H new ATOM 0 HA THR A 31 -14.715 -7.522 0.404 1.00 0.00 H new ATOM 0 HB THR A 31 -16.961 -8.283 -0.492 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.520 -6.844 -0.641 1.00 0.00 H new ATOM 0 HG21 THR A 31 -17.980 -8.574 1.735 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.225 -8.866 1.772 1.00 0.00 H new ATOM 0 HG23 THR A 31 -16.886 -7.334 2.393 1.00 0.00 H new ATOM 399 N ARG A 32 -15.478 -5.227 -1.744 1.00 0.00 N ATOM 400 CA ARG A 32 -15.312 -4.779 -3.122 1.00 0.00 C ATOM 401 C ARG A 32 -14.187 -3.753 -3.228 1.00 0.00 C ATOM 402 O ARG A 32 -13.847 -3.301 -4.321 1.00 0.00 O ATOM 403 CB ARG A 32 -16.617 -4.178 -3.646 1.00 0.00 C ATOM 404 CG ARG A 32 -17.806 -5.118 -3.541 1.00 0.00 C ATOM 405 CD ARG A 32 -19.108 -4.412 -3.887 1.00 0.00 C ATOM 406 NE ARG A 32 -20.273 -5.135 -3.386 1.00 0.00 N ATOM 407 CZ ARG A 32 -20.779 -6.212 -3.977 1.00 0.00 C ATOM 408 NH1 ARG A 32 -20.225 -6.687 -5.083 1.00 0.00 N ATOM 409 NH2 ARG A 32 -21.842 -6.815 -3.460 1.00 0.00 N ATOM 0 H ARG A 32 -15.753 -4.492 -1.092 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.049 -5.645 -3.730 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.836 -3.266 -3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.482 -3.892 -4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.661 -5.965 -4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.866 -5.519 -2.529 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.098 -3.406 -3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.186 -4.305 -4.969 1.00 0.00 H new ATOM 0 HE ARG A 32 -20.723 -4.795 -2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.408 -6.226 -5.483 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.616 -7.514 -5.534 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -22.271 -6.452 -2.609 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -22.230 -7.642 -3.914 1.00 0.00 H new ATOM 423 N PHE A 33 -13.615 -3.390 -2.085 1.00 0.00 N ATOM 424 CA PHE A 33 -12.530 -2.416 -2.049 1.00 0.00 C ATOM 425 C PHE A 33 -11.747 -2.522 -0.744 1.00 0.00 C ATOM 426 O PHE A 33 -12.056 -3.351 0.112 1.00 0.00 O ATOM 427 CB PHE A 33 -13.083 -0.998 -2.211 1.00 0.00 C ATOM 428 CG PHE A 33 -13.541 -0.383 -0.919 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.650 0.299 -0.107 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.863 -0.486 -0.518 1.00 0.00 C ATOM 431 CE1 PHE A 33 -13.068 0.867 1.082 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.287 0.080 0.670 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.388 0.756 1.471 1.00 0.00 C ATOM 0 H PHE A 33 -13.884 -3.755 -1.172 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.854 -2.632 -2.877 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.314 -0.365 -2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.919 -1.020 -2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.616 0.388 -0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.570 -1.014 -1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.363 1.397 1.706 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.321 -0.007 0.971 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.717 1.197 2.400 1.00 0.00 H new ATOM 443 N ILE A 34 -10.731 -1.678 -0.600 1.00 0.00 N ATOM 444 CA ILE A 34 -9.903 -1.677 0.599 1.00 0.00 C ATOM 445 C ILE A 34 -9.336 -0.288 0.875 1.00 0.00 C ATOM 446 O ILE A 34 -8.691 0.313 0.015 1.00 0.00 O ATOM 447 CB ILE A 34 -8.740 -2.680 0.482 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.277 -4.085 0.203 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.902 -2.669 1.752 1.00 0.00 C ATOM 450 CD1 ILE A 34 -8.196 -5.087 -0.138 1.00 0.00 C ATOM 0 H ILE A 34 -10.462 -0.986 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.547 -1.975 1.426 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.104 -2.382 -0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.824 -4.436 1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.989 -4.036 -0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.084 -3.383 1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.495 -1.670 1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.526 -2.946 2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.648 -6.061 -0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.663 -4.758 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.496 -5.165 0.694 1.00 0.00 H new ATOM 462 N LYS A 35 -9.580 0.217 2.079 1.00 0.00 N ATOM 463 CA LYS A 35 -9.092 1.533 2.471 1.00 0.00 C ATOM 464 C LYS A 35 -7.651 1.454 2.966 1.00 0.00 C ATOM 465 O LYS A 35 -7.341 0.697 3.887 1.00 0.00 O ATOM 466 CB LYS A 35 -9.986 2.128 3.562 1.00 0.00 C ATOM 467 CG LYS A 35 -9.829 3.630 3.725 1.00 0.00 C ATOM 468 CD LYS A 35 -10.756 4.392 2.793 1.00 0.00 C ATOM 469 CE LYS A 35 -10.423 5.876 2.767 1.00 0.00 C ATOM 470 NZ LYS A 35 -11.625 6.709 2.488 1.00 0.00 N ATOM 0 H LYS A 35 -10.114 -0.266 2.801 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.121 2.179 1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.027 1.903 3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.759 1.642 4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.040 3.909 4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.796 3.913 3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.678 3.983 1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.789 4.255 3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.993 6.169 3.725 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.666 6.065 2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.357 7.714 2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.021 6.448 1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.338 6.548 3.228 1.00 0.00 H new ATOM 484 N LEU A 36 -6.775 2.242 2.352 1.00 0.00 N ATOM 485 CA LEU A 36 -5.367 2.262 2.732 1.00 0.00 C ATOM 486 C LEU A 36 -5.031 3.531 3.508 1.00 0.00 C ATOM 487 O LEU A 36 -5.721 4.545 3.393 1.00 0.00 O ATOM 488 CB LEU A 36 -4.482 2.161 1.488 1.00 0.00 C ATOM 489 CG LEU A 36 -4.101 0.747 1.048 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.345 0.029 2.155 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.342 -0.039 0.650 1.00 0.00 C ATOM 0 H LEU A 36 -7.015 2.875 1.589 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.177 1.404 3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.995 2.651 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.566 2.722 1.672 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.447 0.821 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.082 -0.976 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.436 0.582 2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.974 -0.035 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.053 -1.043 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.020 -0.104 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.843 0.466 -0.176 1.00 0.00 H new ATOM 503 N THR A 37 -3.963 3.471 4.298 1.00 0.00 N ATOM 504 CA THR A 37 -3.534 4.615 5.092 1.00 0.00 C ATOM 505 C THR A 37 -2.049 4.526 5.426 1.00 0.00 C ATOM 506 O THR A 37 -1.555 3.471 5.825 1.00 0.00 O ATOM 507 CB THR A 37 -4.338 4.723 6.402 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.306 3.473 7.101 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.780 5.116 6.120 1.00 0.00 C ATOM 0 H THR A 37 -3.379 2.641 4.405 1.00 0.00 H new ATOM 0 HA THR A 37 -3.715 5.505 4.489 1.00 0.00 H new ATOM 0 HB THR A 37 -3.882 5.496 7.021 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.818 3.550 7.933 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.328 5.186 7.059 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.802 6.081 5.614 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.245 4.363 5.484 1.00 0.00 H new ATOM 517 N TRP A 38 -1.343 5.639 5.262 1.00 0.00 N ATOM 518 CA TRP A 38 0.086 5.686 5.547 1.00 0.00 C ATOM 519 C TRP A 38 0.504 7.079 6.004 1.00 0.00 C ATOM 520 O TRP A 38 -0.256 8.039 5.875 1.00 0.00 O ATOM 521 CB TRP A 38 0.888 5.279 4.310 1.00 0.00 C ATOM 522 CG TRP A 38 0.622 6.147 3.118 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.158 7.377 2.864 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.246 5.852 2.019 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.675 7.864 1.674 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.188 6.947 1.135 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.066 4.768 1.694 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -0.919 6.987 -0.049 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -1.791 4.810 0.519 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.714 5.913 -0.342 1.00 0.00 C ATOM 0 H TRP A 38 -1.737 6.521 4.933 1.00 0.00 H new ATOM 0 HA TRP A 38 0.294 4.982 6.353 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.951 5.315 4.547 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.653 4.245 4.057 1.00 0.00 H new ATOM 0 HD1 TRP A 38 1.859 7.891 3.505 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.919 8.763 1.259 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.132 3.913 2.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.861 7.837 -0.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.429 3.978 0.259 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.293 5.915 -1.254 1.00 0.00 H new ATOM 541 N ARG A 39 1.718 7.184 6.536 1.00 0.00 N ATOM 542 CA ARG A 39 2.236 8.461 7.012 1.00 0.00 C ATOM 543 C ARG A 39 3.185 9.078 5.989 1.00 0.00 C ATOM 544 O ARG A 39 3.430 8.504 4.927 1.00 0.00 O ATOM 545 CB ARG A 39 2.959 8.276 8.347 1.00 0.00 C ATOM 546 CG ARG A 39 2.091 7.654 9.429 1.00 0.00 C ATOM 547 CD ARG A 39 1.170 8.684 10.065 1.00 0.00 C ATOM 548 NE ARG A 39 -0.098 8.800 9.348 1.00 0.00 N ATOM 549 CZ ARG A 39 -1.127 9.516 9.788 1.00 0.00 C ATOM 550 NH1 ARG A 39 -1.038 10.176 10.934 1.00 0.00 N ATOM 551 NH2 ARG A 39 -2.247 9.573 9.079 1.00 0.00 N ATOM 0 H ARG A 39 2.361 6.400 6.648 1.00 0.00 H new ATOM 0 HA ARG A 39 1.393 9.137 7.154 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.836 7.648 8.191 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.318 9.245 8.693 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.496 6.847 9.001 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.726 7.209 10.195 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.977 8.407 11.101 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.667 9.654 10.082 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.198 8.305 8.462 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.178 10.135 11.481 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.830 10.725 11.269 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.318 9.067 8.196 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.037 10.123 9.417 1.00 0.00 H new ATOM 565 N THR A 40 3.716 10.252 6.315 1.00 0.00 N ATOM 566 CA THR A 40 4.636 10.948 5.424 1.00 0.00 C ATOM 567 C THR A 40 5.993 10.254 5.384 1.00 0.00 C ATOM 568 O THR A 40 6.456 9.685 6.373 1.00 0.00 O ATOM 569 CB THR A 40 4.835 12.414 5.855 1.00 0.00 C ATOM 570 OG1 THR A 40 4.762 12.519 7.282 1.00 0.00 O ATOM 571 CG2 THR A 40 3.783 13.311 5.221 1.00 0.00 C ATOM 0 H THR A 40 3.525 10.741 7.190 1.00 0.00 H new ATOM 0 HA THR A 40 4.190 10.926 4.430 1.00 0.00 H new ATOM 0 HB THR A 40 5.819 12.739 5.517 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.962 13.439 7.553 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.943 14.341 5.540 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.860 13.251 4.135 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.791 12.985 5.533 1.00 0.00 H new ATOM 579 N PRO A 41 6.648 10.301 4.214 1.00 0.00 N ATOM 580 CA PRO A 41 7.962 9.683 4.018 1.00 0.00 C ATOM 581 C PRO A 41 9.066 10.412 4.777 1.00 0.00 C ATOM 582 O PRO A 41 9.007 11.628 4.960 1.00 0.00 O ATOM 583 CB PRO A 41 8.186 9.798 2.508 1.00 0.00 C ATOM 584 CG PRO A 41 7.358 10.963 2.090 1.00 0.00 C ATOM 585 CD PRO A 41 6.156 10.962 2.994 1.00 0.00 C ATOM 0 HA PRO A 41 7.990 8.659 4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.239 9.957 2.275 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.879 8.888 1.992 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.917 11.894 2.185 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.061 10.876 1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.806 11.974 3.198 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.321 10.419 2.552 1.00 0.00 H new ATOM 593 N ALA A 42 10.071 9.662 5.216 1.00 0.00 N ATOM 594 CA ALA A 42 11.188 10.238 5.954 1.00 0.00 C ATOM 595 C ALA A 42 11.822 11.389 5.179 1.00 0.00 C ATOM 596 O ALA A 42 12.268 12.374 5.767 1.00 0.00 O ATOM 597 CB ALA A 42 12.227 9.169 6.258 1.00 0.00 C ATOM 0 H ALA A 42 10.135 8.654 5.073 1.00 0.00 H new ATOM 0 HA ALA A 42 10.805 10.634 6.894 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.056 9.613 6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.773 8.381 6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.598 8.746 5.324 1.00 0.00 H new ATOM 603 N SER A 43 11.860 11.256 3.857 1.00 0.00 N ATOM 604 CA SER A 43 12.443 12.283 3.002 1.00 0.00 C ATOM 605 C SER A 43 11.544 13.514 2.941 1.00 0.00 C ATOM 606 O SER A 43 12.018 14.647 3.028 1.00 0.00 O ATOM 607 CB SER A 43 12.672 11.734 1.593 1.00 0.00 C ATOM 608 OG SER A 43 11.443 11.555 0.909 1.00 0.00 O ATOM 0 H SER A 43 11.494 10.447 3.355 1.00 0.00 H new ATOM 0 HA SER A 43 13.402 12.576 3.430 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.308 12.418 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.201 10.783 1.651 1.00 0.00 H new ATOM 0 HG SER A 43 11.496 11.976 0.026 1.00 0.00 H new ATOM 614 N ASP A 44 10.245 13.283 2.791 1.00 0.00 N ATOM 615 CA ASP A 44 9.278 14.372 2.719 1.00 0.00 C ATOM 616 C ASP A 44 8.342 14.348 3.923 1.00 0.00 C ATOM 617 O ASP A 44 7.362 13.603 3.964 1.00 0.00 O ATOM 618 CB ASP A 44 8.467 14.278 1.425 1.00 0.00 C ATOM 619 CG ASP A 44 9.228 13.580 0.315 1.00 0.00 C ATOM 620 OD1 ASP A 44 10.099 14.226 -0.304 1.00 0.00 O ATOM 621 OD2 ASP A 44 8.951 12.388 0.064 1.00 0.00 O ATOM 0 H ASP A 44 9.837 12.351 2.717 1.00 0.00 H new ATOM 0 HA ASP A 44 9.827 15.314 2.727 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.539 13.740 1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.192 15.281 1.098 1.00 0.00 H new ATOM 626 N PRO A 45 8.649 15.181 4.928 1.00 0.00 N ATOM 627 CA PRO A 45 7.847 15.274 6.152 1.00 0.00 C ATOM 628 C PRO A 45 6.486 15.915 5.907 1.00 0.00 C ATOM 629 O PRO A 45 5.564 15.764 6.709 1.00 0.00 O ATOM 630 CB PRO A 45 8.698 16.159 7.067 1.00 0.00 C ATOM 631 CG PRO A 45 9.530 16.975 6.138 1.00 0.00 C ATOM 632 CD PRO A 45 9.801 16.098 4.947 1.00 0.00 C ATOM 0 HA PRO A 45 7.627 14.292 6.570 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.074 16.791 7.698 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.319 15.559 7.732 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.007 17.884 5.842 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.460 17.283 6.616 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.867 16.679 4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.742 15.558 5.051 1.00 0.00 H new ATOM 640 N HIS A 46 6.366 16.630 4.793 1.00 0.00 N ATOM 641 CA HIS A 46 5.115 17.294 4.441 1.00 0.00 C ATOM 642 C HIS A 46 4.445 16.599 3.260 1.00 0.00 C ATOM 643 O HIS A 46 3.226 16.655 3.103 1.00 0.00 O ATOM 644 CB HIS A 46 5.370 18.764 4.106 1.00 0.00 C ATOM 645 CG HIS A 46 5.346 19.663 5.303 1.00 0.00 C ATOM 646 ND1 HIS A 46 4.277 20.477 5.613 1.00 0.00 N ATOM 647 CD2 HIS A 46 6.269 19.874 6.271 1.00 0.00 C ATOM 648 CE1 HIS A 46 4.544 21.150 6.718 1.00 0.00 C ATOM 649 NE2 HIS A 46 5.747 20.802 7.138 1.00 0.00 N ATOM 0 H HIS A 46 7.119 16.765 4.118 1.00 0.00 H new ATOM 0 HA HIS A 46 4.447 17.236 5.300 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.338 18.853 3.614 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.618 19.102 3.393 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.237 19.400 6.347 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.890 21.864 7.197 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.212 21.164 7.971 1.00 0.00 H new ATOM 658 N GLY A 47 5.251 15.944 2.429 1.00 0.00 N ATOM 659 CA GLY A 47 4.719 15.249 1.272 1.00 0.00 C ATOM 660 C GLY A 47 3.477 15.917 0.716 1.00 0.00 C ATOM 661 O GLY A 47 2.525 15.243 0.322 1.00 0.00 O ATOM 0 H GLY A 47 6.263 15.883 2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.483 15.205 0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.483 14.221 1.546 1.00 0.00 H new ATOM 665 N ASP A 48 3.485 17.245 0.684 1.00 0.00 N ATOM 666 CA ASP A 48 2.351 18.005 0.172 1.00 0.00 C ATOM 667 C ASP A 48 2.579 18.410 -1.281 1.00 0.00 C ATOM 668 O ASP A 48 1.644 18.789 -1.984 1.00 0.00 O ATOM 669 CB ASP A 48 2.113 19.248 1.030 1.00 0.00 C ATOM 670 CG ASP A 48 1.036 20.149 0.459 1.00 0.00 C ATOM 671 OD1 ASP A 48 1.370 21.024 -0.365 1.00 0.00 O ATOM 672 OD2 ASP A 48 -0.143 19.978 0.838 1.00 0.00 O ATOM 0 H ASP A 48 4.265 17.818 1.007 1.00 0.00 H new ATOM 0 HA ASP A 48 1.468 17.367 0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.830 18.942 2.037 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.043 19.809 1.117 1.00 0.00 H new ATOM 677 N ASN A 49 3.830 18.330 -1.723 1.00 0.00 N ATOM 678 CA ASN A 49 4.182 18.690 -3.091 1.00 0.00 C ATOM 679 C ASN A 49 4.447 17.444 -3.931 1.00 0.00 C ATOM 680 O ASN A 49 5.008 17.527 -5.025 1.00 0.00 O ATOM 681 CB ASN A 49 5.414 19.597 -3.101 1.00 0.00 C ATOM 682 CG ASN A 49 6.576 19.002 -2.328 1.00 0.00 C ATOM 683 OD1 ASN A 49 7.555 18.542 -2.915 1.00 0.00 O ATOM 684 ND2 ASN A 49 6.471 19.009 -1.004 1.00 0.00 N ATOM 0 H ASN A 49 4.617 18.019 -1.153 1.00 0.00 H new ATOM 0 HA ASN A 49 3.340 19.228 -3.527 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.721 19.777 -4.131 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.153 20.565 -2.672 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.221 18.622 -0.431 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.640 19.401 -0.560 1.00 0.00 H new ATOM 691 N LEU A 50 4.039 16.291 -3.413 1.00 0.00 N ATOM 692 CA LEU A 50 4.232 15.026 -4.114 1.00 0.00 C ATOM 693 C LEU A 50 2.990 14.147 -4.003 1.00 0.00 C ATOM 694 O LEU A 50 2.322 14.125 -2.968 1.00 0.00 O ATOM 695 CB LEU A 50 5.446 14.287 -3.551 1.00 0.00 C ATOM 696 CG LEU A 50 5.680 14.429 -2.046 1.00 0.00 C ATOM 697 CD1 LEU A 50 4.790 13.465 -1.275 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.144 14.191 -1.709 1.00 0.00 C ATOM 0 H LEU A 50 3.572 16.206 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 50 4.406 15.246 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.341 13.227 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.336 14.641 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 50 5.421 15.446 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.970 13.580 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.744 13.682 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.018 12.442 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.292 14.296 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.430 13.185 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.761 14.921 -2.233 1.00 0.00 H new ATOM 710 N THR A 51 2.687 13.421 -5.074 1.00 0.00 N ATOM 711 CA THR A 51 1.527 12.539 -5.096 1.00 0.00 C ATOM 712 C THR A 51 1.887 11.144 -4.599 1.00 0.00 C ATOM 713 O THR A 51 3.061 10.827 -4.406 1.00 0.00 O ATOM 714 CB THR A 51 0.931 12.430 -6.513 1.00 0.00 C ATOM 715 OG1 THR A 51 1.162 13.643 -7.236 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.562 12.145 -6.452 1.00 0.00 C ATOM 0 H THR A 51 3.229 13.426 -5.938 1.00 0.00 H new ATOM 0 HA THR A 51 0.784 12.978 -4.430 1.00 0.00 H new ATOM 0 HB THR A 51 1.421 11.603 -7.027 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.782 13.565 -8.136 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.960 12.072 -7.464 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.732 11.205 -5.927 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.065 12.953 -5.921 1.00 0.00 H new ATOM 724 N TYR A 52 0.871 10.313 -4.395 1.00 0.00 N ATOM 725 CA TYR A 52 1.081 8.951 -3.919 1.00 0.00 C ATOM 726 C TYR A 52 0.396 7.942 -4.835 1.00 0.00 C ATOM 727 O TYR A 52 -0.799 8.047 -5.109 1.00 0.00 O ATOM 728 CB TYR A 52 0.554 8.801 -2.491 1.00 0.00 C ATOM 729 CG TYR A 52 1.329 9.604 -1.471 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.602 9.213 -1.072 1.00 0.00 C ATOM 731 CD2 TYR A 52 0.790 10.752 -0.906 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.314 9.944 -0.141 1.00 0.00 C ATOM 733 CE2 TYR A 52 1.495 11.490 0.025 1.00 0.00 C ATOM 734 CZ TYR A 52 2.756 11.081 0.405 1.00 0.00 C ATOM 735 OH TYR A 52 3.462 11.812 1.334 1.00 0.00 O ATOM 0 H TYR A 52 -0.106 10.559 -4.552 1.00 0.00 H new ATOM 0 HA TYR A 52 2.153 8.752 -3.927 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.491 9.108 -2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.584 7.748 -2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.042 8.323 -1.497 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.198 11.074 -1.200 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.302 9.627 0.158 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.061 12.382 0.453 1.00 0.00 H new ATOM 0 HH TYR A 52 2.928 12.583 1.618 1.00 0.00 H new ATOM 745 N SER A 53 1.163 6.963 -5.305 1.00 0.00 N ATOM 746 CA SER A 53 0.632 5.936 -6.193 1.00 0.00 C ATOM 747 C SER A 53 0.520 4.597 -5.469 1.00 0.00 C ATOM 748 O SER A 53 1.432 4.189 -4.750 1.00 0.00 O ATOM 749 CB SER A 53 1.525 5.788 -7.427 1.00 0.00 C ATOM 750 OG SER A 53 1.112 6.662 -8.463 1.00 0.00 O ATOM 0 H SER A 53 2.154 6.860 -5.085 1.00 0.00 H new ATOM 0 HA SER A 53 -0.365 6.243 -6.509 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.560 6.001 -7.159 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.493 4.758 -7.782 1.00 0.00 H new ATOM 0 HG SER A 53 1.790 7.357 -8.594 1.00 0.00 H new ATOM 756 N VAL A 54 -0.606 3.918 -5.666 1.00 0.00 N ATOM 757 CA VAL A 54 -0.838 2.625 -5.034 1.00 0.00 C ATOM 758 C VAL A 54 -0.989 1.523 -6.076 1.00 0.00 C ATOM 759 O VAL A 54 -1.861 1.589 -6.943 1.00 0.00 O ATOM 760 CB VAL A 54 -2.097 2.653 -4.146 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.371 1.275 -3.564 1.00 0.00 C ATOM 762 CG2 VAL A 54 -1.946 3.687 -3.040 1.00 0.00 C ATOM 0 H VAL A 54 -1.371 4.242 -6.258 1.00 0.00 H new ATOM 0 HA VAL A 54 0.032 2.416 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.949 2.936 -4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.264 1.315 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.526 0.562 -4.374 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.520 0.959 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.844 3.693 -2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.083 3.436 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.802 4.673 -3.481 1.00 0.00 H new ATOM 772 N PHE A 55 -0.134 0.510 -5.986 1.00 0.00 N ATOM 773 CA PHE A 55 -0.172 -0.608 -6.922 1.00 0.00 C ATOM 774 C PHE A 55 -0.714 -1.864 -6.247 1.00 0.00 C ATOM 775 O PHE A 55 -0.119 -2.380 -5.300 1.00 0.00 O ATOM 776 CB PHE A 55 1.226 -0.879 -7.481 1.00 0.00 C ATOM 777 CG PHE A 55 1.887 0.339 -8.060 1.00 0.00 C ATOM 778 CD1 PHE A 55 2.280 1.385 -7.242 1.00 0.00 C ATOM 779 CD2 PHE A 55 2.113 0.439 -9.424 1.00 0.00 C ATOM 780 CE1 PHE A 55 2.889 2.508 -7.771 1.00 0.00 C ATOM 781 CE2 PHE A 55 2.722 1.558 -9.959 1.00 0.00 C ATOM 782 CZ PHE A 55 3.109 2.595 -9.132 1.00 0.00 C ATOM 0 H PHE A 55 0.594 0.440 -5.275 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.839 -0.341 -7.742 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.855 -1.280 -6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.158 -1.647 -8.252 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.109 1.323 -6.177 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.810 -0.367 -10.076 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.192 3.316 -7.121 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.895 1.622 -11.023 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.582 3.472 -9.549 1.00 0.00 H new ATOM 792 N TYR A 56 -1.847 -2.351 -6.740 1.00 0.00 N ATOM 793 CA TYR A 56 -2.473 -3.545 -6.184 1.00 0.00 C ATOM 794 C TYR A 56 -2.535 -4.661 -7.222 1.00 0.00 C ATOM 795 O TYR A 56 -2.780 -4.415 -8.403 1.00 0.00 O ATOM 796 CB TYR A 56 -3.881 -3.222 -5.681 1.00 0.00 C ATOM 797 CG TYR A 56 -4.722 -2.463 -6.682 1.00 0.00 C ATOM 798 CD1 TYR A 56 -4.641 -1.080 -6.781 1.00 0.00 C ATOM 799 CD2 TYR A 56 -5.599 -3.130 -7.530 1.00 0.00 C ATOM 800 CE1 TYR A 56 -5.408 -0.382 -7.694 1.00 0.00 C ATOM 801 CE2 TYR A 56 -6.368 -2.441 -8.446 1.00 0.00 C ATOM 802 CZ TYR A 56 -6.270 -1.067 -8.525 1.00 0.00 C ATOM 803 OH TYR A 56 -7.036 -0.377 -9.436 1.00 0.00 O ATOM 0 H TYR A 56 -2.351 -1.937 -7.524 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.865 -3.886 -5.346 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.388 -4.152 -5.424 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.805 -2.637 -4.765 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.966 -0.541 -6.133 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.680 -4.205 -7.471 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.333 0.694 -7.757 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.043 -2.975 -9.098 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.588 -1.008 -9.944 1.00 0.00 H new ATOM 813 N THR A 57 -2.312 -5.892 -6.772 1.00 0.00 N ATOM 814 CA THR A 57 -2.342 -7.048 -7.659 1.00 0.00 C ATOM 815 C THR A 57 -2.519 -8.341 -6.872 1.00 0.00 C ATOM 816 O THR A 57 -1.965 -8.499 -5.784 1.00 0.00 O ATOM 817 CB THR A 57 -1.055 -7.144 -8.500 1.00 0.00 C ATOM 818 OG1 THR A 57 -1.014 -8.397 -9.192 1.00 0.00 O ATOM 819 CG2 THR A 57 0.178 -7.004 -7.620 1.00 0.00 C ATOM 0 H THR A 57 -2.108 -6.114 -5.797 1.00 0.00 H new ATOM 0 HA THR A 57 -3.194 -6.913 -8.326 1.00 0.00 H new ATOM 0 HB THR A 57 -1.059 -6.330 -9.225 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.198 -8.251 -10.143 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.075 -7.075 -8.236 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.159 -6.037 -7.118 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.186 -7.800 -6.875 1.00 0.00 H new ATOM 827 N LYS A 58 -3.294 -9.266 -7.429 1.00 0.00 N ATOM 828 CA LYS A 58 -3.543 -10.548 -6.781 1.00 0.00 C ATOM 829 C LYS A 58 -2.246 -11.334 -6.613 1.00 0.00 C ATOM 830 O LYS A 58 -1.441 -11.425 -7.539 1.00 0.00 O ATOM 831 CB LYS A 58 -4.546 -11.368 -7.595 1.00 0.00 C ATOM 832 CG LYS A 58 -5.071 -12.590 -6.860 1.00 0.00 C ATOM 833 CD LYS A 58 -6.296 -13.170 -7.547 1.00 0.00 C ATOM 834 CE LYS A 58 -5.911 -14.017 -8.750 1.00 0.00 C ATOM 835 NZ LYS A 58 -5.222 -15.274 -8.346 1.00 0.00 N ATOM 0 H LYS A 58 -3.761 -9.151 -8.329 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.960 -10.352 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.386 -10.730 -7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.073 -11.688 -8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.289 -13.348 -6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.322 -12.319 -5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.859 -13.777 -6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.953 -12.361 -7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.805 -14.261 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.259 -13.440 -9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.262 -15.959 -9.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.229 -15.067 -8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.693 -15.675 -7.510 1.00 0.00 H new ATOM 849 N GLU A 59 -2.052 -11.900 -5.426 1.00 0.00 N ATOM 850 CA GLU A 59 -0.853 -12.678 -5.138 1.00 0.00 C ATOM 851 C GLU A 59 -0.527 -13.622 -6.292 1.00 0.00 C ATOM 852 O GLU A 59 -1.283 -14.548 -6.583 1.00 0.00 O ATOM 853 CB GLU A 59 -1.034 -13.478 -3.846 1.00 0.00 C ATOM 854 CG GLU A 59 0.268 -13.760 -3.117 1.00 0.00 C ATOM 855 CD GLU A 59 0.952 -15.021 -3.610 1.00 0.00 C ATOM 856 OE1 GLU A 59 0.327 -16.100 -3.544 1.00 0.00 O ATOM 857 OE2 GLU A 59 2.112 -14.928 -4.063 1.00 0.00 O ATOM 0 H GLU A 59 -2.709 -11.834 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.022 -11.984 -5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.702 -12.931 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.522 -14.424 -4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.942 -12.913 -3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.069 -13.853 -2.049 1.00 0.00 H new ATOM 864 N GLY A 60 0.604 -13.379 -6.947 1.00 0.00 N ATOM 865 CA GLY A 60 1.010 -14.215 -8.062 1.00 0.00 C ATOM 866 C GLY A 60 0.904 -13.497 -9.393 1.00 0.00 C ATOM 867 O GLY A 60 1.846 -13.504 -10.186 1.00 0.00 O ATOM 0 H GLY A 60 1.246 -12.618 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.038 -14.543 -7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.390 -15.111 -8.085 1.00 0.00 H new ATOM 871 N ILE A 61 -0.246 -12.878 -9.640 1.00 0.00 N ATOM 872 CA ILE A 61 -0.471 -12.154 -10.884 1.00 0.00 C ATOM 873 C ILE A 61 0.656 -11.163 -11.155 1.00 0.00 C ATOM 874 O ILE A 61 0.984 -10.333 -10.307 1.00 0.00 O ATOM 875 CB ILE A 61 -1.811 -11.396 -10.860 1.00 0.00 C ATOM 876 CG1 ILE A 61 -2.964 -12.363 -10.584 1.00 0.00 C ATOM 877 CG2 ILE A 61 -2.030 -10.664 -12.176 1.00 0.00 C ATOM 878 CD1 ILE A 61 -3.084 -13.469 -11.609 1.00 0.00 C ATOM 0 H ILE A 61 -1.036 -12.864 -8.995 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.498 -12.897 -11.681 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.780 -10.659 -10.058 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.827 -12.806 -9.598 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.898 -11.803 -10.555 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.981 -10.133 -12.143 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.222 -9.950 -12.334 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.044 -11.384 -12.995 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.922 -14.116 -11.350 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.252 -13.035 -12.595 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.164 -14.054 -11.622 1.00 0.00 H new ATOM 890 N ALA A 62 1.245 -11.254 -12.343 1.00 0.00 N ATOM 891 CA ALA A 62 2.332 -10.363 -12.728 1.00 0.00 C ATOM 892 C ALA A 62 1.796 -9.083 -13.359 1.00 0.00 C ATOM 893 O ALA A 62 2.472 -8.448 -14.169 1.00 0.00 O ATOM 894 CB ALA A 62 3.279 -11.070 -13.686 1.00 0.00 C ATOM 0 H ALA A 62 0.987 -11.937 -13.056 1.00 0.00 H new ATOM 0 HA ALA A 62 2.881 -10.090 -11.827 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.086 -10.393 -13.965 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.697 -11.952 -13.200 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.733 -11.373 -14.580 1.00 0.00 H new ATOM 900 N ARG A 63 0.577 -8.709 -12.983 1.00 0.00 N ATOM 901 CA ARG A 63 -0.050 -7.505 -13.514 1.00 0.00 C ATOM 902 C ARG A 63 -0.715 -6.702 -12.400 1.00 0.00 C ATOM 903 O ARG A 63 -1.669 -7.162 -11.775 1.00 0.00 O ATOM 904 CB ARG A 63 -1.085 -7.871 -14.580 1.00 0.00 C ATOM 905 CG ARG A 63 -0.474 -8.234 -15.923 1.00 0.00 C ATOM 906 CD ARG A 63 -1.540 -8.628 -16.933 1.00 0.00 C ATOM 907 NE ARG A 63 -2.337 -7.482 -17.363 1.00 0.00 N ATOM 908 CZ ARG A 63 -3.399 -7.035 -16.703 1.00 0.00 C ATOM 909 NH1 ARG A 63 -3.790 -7.635 -15.587 1.00 0.00 N ATOM 910 NH2 ARG A 63 -4.072 -5.986 -17.158 1.00 0.00 N ATOM 0 H ARG A 63 0.004 -9.222 -12.313 1.00 0.00 H new ATOM 0 HA ARG A 63 0.728 -6.891 -13.968 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.681 -8.711 -14.223 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.767 -7.031 -14.716 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.095 -7.387 -16.305 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.228 -9.058 -15.794 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.065 -9.086 -17.801 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.195 -9.381 -16.494 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.062 -6.998 -18.218 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.275 -8.441 -15.234 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.606 -7.290 -15.081 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.774 -5.522 -18.016 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.888 -5.644 -16.650 1.00 0.00 H new ATOM 924 N GLU A 64 -0.202 -5.499 -12.158 1.00 0.00 N ATOM 925 CA GLU A 64 -0.745 -4.633 -11.118 1.00 0.00 C ATOM 926 C GLU A 64 -1.152 -3.280 -11.695 1.00 0.00 C ATOM 927 O GLU A 64 -0.559 -2.802 -12.662 1.00 0.00 O ATOM 928 CB GLU A 64 0.281 -4.435 -10.000 1.00 0.00 C ATOM 929 CG GLU A 64 1.453 -3.554 -10.399 1.00 0.00 C ATOM 930 CD GLU A 64 2.458 -4.279 -11.273 1.00 0.00 C ATOM 931 OE1 GLU A 64 3.017 -5.298 -10.817 1.00 0.00 O ATOM 932 OE2 GLU A 64 2.684 -3.827 -12.415 1.00 0.00 O ATOM 0 H GLU A 64 0.588 -5.103 -12.668 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.632 -5.115 -10.706 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.216 -3.994 -9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.659 -5.409 -9.688 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.080 -2.679 -10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.953 -3.192 -9.501 1.00 0.00 H new ATOM 939 N ARG A 65 -2.167 -2.669 -11.094 1.00 0.00 N ATOM 940 CA ARG A 65 -2.655 -1.372 -11.548 1.00 0.00 C ATOM 941 C ARG A 65 -2.347 -0.285 -10.522 1.00 0.00 C ATOM 942 O ARG A 65 -2.465 -0.503 -9.317 1.00 0.00 O ATOM 943 CB ARG A 65 -4.162 -1.432 -11.806 1.00 0.00 C ATOM 944 CG ARG A 65 -4.557 -2.435 -12.877 1.00 0.00 C ATOM 945 CD ARG A 65 -5.968 -2.180 -13.385 1.00 0.00 C ATOM 946 NE ARG A 65 -6.142 -2.628 -14.764 1.00 0.00 N ATOM 947 CZ ARG A 65 -7.318 -2.669 -15.381 1.00 0.00 C ATOM 948 NH1 ARG A 65 -8.417 -2.291 -14.744 1.00 0.00 N ATOM 949 NH2 ARG A 65 -7.395 -3.089 -16.637 1.00 0.00 N ATOM 0 H ARG A 65 -2.668 -3.051 -10.292 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.143 -1.125 -12.478 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.671 -1.686 -10.876 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.511 -0.442 -12.100 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.854 -2.378 -13.708 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.491 -3.445 -12.473 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.683 -2.695 -12.743 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.190 -1.115 -13.319 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.315 -2.926 -15.282 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.361 -1.968 -13.778 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.319 -2.323 -15.220 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.551 -3.381 -17.130 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.298 -3.120 -17.110 1.00 0.00 H new ATOM 963 N VAL A 66 -1.950 0.886 -11.010 1.00 0.00 N ATOM 964 CA VAL A 66 -1.624 2.007 -10.137 1.00 0.00 C ATOM 965 C VAL A 66 -2.809 2.957 -9.997 1.00 0.00 C ATOM 966 O VAL A 66 -3.536 3.202 -10.958 1.00 0.00 O ATOM 967 CB VAL A 66 -0.409 2.794 -10.662 1.00 0.00 C ATOM 968 CG1 VAL A 66 -0.829 3.749 -11.769 1.00 0.00 C ATOM 969 CG2 VAL A 66 0.270 3.545 -9.527 1.00 0.00 C ATOM 0 H VAL A 66 -1.846 1.083 -12.005 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.381 1.587 -9.161 1.00 0.00 H new ATOM 0 HB VAL A 66 0.308 2.087 -11.079 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.043 4.296 -12.127 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.266 3.183 -12.592 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.566 4.453 -11.382 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.126 4.096 -9.916 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.437 4.243 -9.078 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.608 2.835 -8.772 1.00 0.00 H new ATOM 979 N GLU A 67 -2.996 3.488 -8.793 1.00 0.00 N ATOM 980 CA GLU A 67 -4.093 4.411 -8.528 1.00 0.00 C ATOM 981 C GLU A 67 -3.582 5.689 -7.870 1.00 0.00 C ATOM 982 O GLU A 67 -3.151 5.678 -6.717 1.00 0.00 O ATOM 983 CB GLU A 67 -5.141 3.748 -7.632 1.00 0.00 C ATOM 984 CG GLU A 67 -6.553 4.257 -7.868 1.00 0.00 C ATOM 985 CD GLU A 67 -7.055 3.959 -9.267 1.00 0.00 C ATOM 986 OE1 GLU A 67 -6.722 4.729 -10.193 1.00 0.00 O ATOM 987 OE2 GLU A 67 -7.780 2.957 -9.438 1.00 0.00 O ATOM 0 H GLU A 67 -2.402 3.295 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.552 4.672 -9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.120 2.671 -7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.873 3.915 -6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.225 3.802 -7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.580 5.333 -7.698 1.00 0.00 H new ATOM 994 N ASN A 68 -3.632 6.791 -8.612 1.00 0.00 N ATOM 995 CA ASN A 68 -3.173 8.078 -8.102 1.00 0.00 C ATOM 996 C ASN A 68 -4.219 8.703 -7.184 1.00 0.00 C ATOM 997 O ASN A 68 -5.378 8.870 -7.566 1.00 0.00 O ATOM 998 CB ASN A 68 -2.863 9.027 -9.261 1.00 0.00 C ATOM 999 CG ASN A 68 -2.118 8.339 -10.389 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -2.670 8.115 -11.467 1.00 0.00 O ATOM 1001 ND2 ASN A 68 -0.857 8.000 -10.145 1.00 0.00 N ATOM 0 H ASN A 68 -3.986 6.818 -9.568 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.263 7.910 -7.525 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.794 9.443 -9.645 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.268 9.863 -8.893 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.305 7.534 -10.866 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.440 8.205 -9.237 1.00 0.00 H new ATOM 1008 N THR A 69 -3.801 9.048 -5.970 1.00 0.00 N ATOM 1009 CA THR A 69 -4.700 9.655 -4.996 1.00 0.00 C ATOM 1010 C THR A 69 -5.427 10.855 -5.592 1.00 0.00 C ATOM 1011 O THR A 69 -4.799 11.797 -6.074 1.00 0.00 O ATOM 1012 CB THR A 69 -3.940 10.104 -3.734 1.00 0.00 C ATOM 1013 OG1 THR A 69 -2.938 11.066 -4.082 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.291 8.916 -3.041 1.00 0.00 C ATOM 0 H THR A 69 -2.845 8.917 -5.638 1.00 0.00 H new ATOM 0 HA THR A 69 -5.429 8.893 -4.720 1.00 0.00 H new ATOM 0 HB THR A 69 -4.656 10.557 -3.048 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.303 11.970 -3.981 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.760 9.258 -2.153 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.060 8.200 -2.751 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.587 8.437 -3.722 1.00 0.00 H new ATOM 1022 N SER A 70 -6.756 10.814 -5.555 1.00 0.00 N ATOM 1023 CA SER A 70 -7.569 11.897 -6.095 1.00 0.00 C ATOM 1024 C SER A 70 -6.903 13.248 -5.854 1.00 0.00 C ATOM 1025 O SER A 70 -7.046 14.175 -6.653 1.00 0.00 O ATOM 1026 CB SER A 70 -8.961 11.882 -5.461 1.00 0.00 C ATOM 1027 OG SER A 70 -9.916 12.492 -6.313 1.00 0.00 O ATOM 0 H SER A 70 -7.292 10.043 -5.157 1.00 0.00 H new ATOM 0 HA SER A 70 -7.665 11.745 -7.170 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.258 10.854 -5.253 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.935 12.406 -4.505 1.00 0.00 H new ATOM 0 HG SER A 70 -10.798 12.468 -5.886 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.173 13.353 -4.748 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.483 14.590 -4.401 1.00 0.00 C ATOM 1035 C HIS A 71 -4.060 14.305 -3.930 1.00 0.00 C ATOM 1036 O HIS A 71 -3.789 13.302 -3.270 1.00 0.00 O ATOM 1037 CB HIS A 71 -6.253 15.340 -3.314 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.693 15.574 -3.652 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -8.127 16.652 -4.394 1.00 0.00 N ATOM 1040 CD2 HIS A 71 -8.801 14.859 -3.346 1.00 0.00 C ATOM 1041 CE1 HIS A 71 -9.440 16.591 -4.529 1.00 0.00 C ATOM 1042 NE2 HIS A 71 -9.873 15.512 -3.902 1.00 0.00 N ATOM 0 H HIS A 71 -6.044 12.596 -4.077 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.432 15.212 -5.295 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.194 14.775 -2.383 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.770 16.301 -3.135 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.835 13.945 -2.772 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.054 17.302 -5.061 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.846 15.213 -3.841 1.00 0.00 H new ATOM 1051 N PRO A 72 -3.130 15.207 -4.276 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.720 15.074 -3.899 1.00 0.00 C ATOM 1053 C PRO A 72 -1.498 15.274 -2.403 1.00 0.00 C ATOM 1054 O PRO A 72 -2.049 16.196 -1.802 1.00 0.00 O ATOM 1055 CB PRO A 72 -1.033 16.187 -4.695 1.00 0.00 C ATOM 1056 CG PRO A 72 -2.100 17.200 -4.928 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.383 16.426 -5.062 1.00 0.00 C ATOM 0 HA PRO A 72 -1.334 14.077 -4.113 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.197 16.613 -4.140 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.632 15.811 -5.636 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.155 17.907 -4.100 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.898 17.780 -5.829 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.233 16.986 -4.672 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.605 16.194 -6.104 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.688 14.405 -1.808 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.408 14.504 -0.387 1.00 0.00 C ATOM 1067 C GLY A 73 -1.287 13.589 0.442 1.00 0.00 C ATOM 1068 O GLY A 73 -0.925 13.215 1.557 1.00 0.00 O ATOM 0 H GLY A 73 -0.220 13.634 -2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.639 14.258 -0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.553 15.534 -0.062 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.445 13.230 -0.102 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.379 12.356 0.598 1.00 0.00 C ATOM 1074 C GLU A 74 -2.638 11.229 1.311 1.00 0.00 C ATOM 1075 O GLU A 74 -1.908 10.459 0.688 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.397 11.770 -0.384 1.00 0.00 C ATOM 1077 CG GLU A 74 -5.751 11.485 0.243 1.00 0.00 C ATOM 1078 CD GLU A 74 -6.743 10.909 -0.749 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -6.383 9.943 -1.454 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -7.878 11.424 -0.821 1.00 0.00 O ATOM 0 H GLU A 74 -2.759 13.531 -1.025 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.905 12.951 1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.529 12.463 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.997 10.846 -0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.624 10.788 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.155 12.407 0.662 1.00 0.00 H new ATOM 1087 N MET A 75 -2.831 11.139 2.623 1.00 0.00 N ATOM 1088 CA MET A 75 -2.182 10.107 3.422 1.00 0.00 C ATOM 1089 C MET A 75 -3.010 8.826 3.433 1.00 0.00 C ATOM 1090 O MET A 75 -2.735 7.905 4.201 1.00 0.00 O ATOM 1091 CB MET A 75 -1.966 10.600 4.854 1.00 0.00 C ATOM 1092 CG MET A 75 -0.906 11.684 4.971 1.00 0.00 C ATOM 1093 SD MET A 75 0.757 11.012 5.155 1.00 0.00 S ATOM 1094 CE MET A 75 1.255 10.866 3.441 1.00 0.00 C ATOM 0 H MET A 75 -3.432 11.769 3.155 1.00 0.00 H new ATOM 0 HA MET A 75 -1.214 9.889 2.970 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.909 10.982 5.244 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.681 9.755 5.481 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.941 12.318 4.085 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.134 12.319 5.827 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.296 10.547 3.390 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.625 10.130 2.941 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.147 11.832 2.947 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.026 8.776 2.576 1.00 0.00 N ATOM 1105 CA GLN A 76 -4.894 7.609 2.489 1.00 0.00 C ATOM 1106 C GLN A 76 -5.663 7.599 1.172 1.00 0.00 C ATOM 1107 O GLN A 76 -5.955 8.652 0.604 1.00 0.00 O ATOM 1108 CB GLN A 76 -5.873 7.586 3.664 1.00 0.00 C ATOM 1109 CG GLN A 76 -6.908 8.698 3.616 1.00 0.00 C ATOM 1110 CD GLN A 76 -6.331 10.049 3.993 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -6.221 10.945 3.157 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -5.959 10.201 5.259 1.00 0.00 N ATOM 0 H GLN A 76 -4.267 9.530 1.933 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.267 6.718 2.530 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.386 6.624 3.680 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.312 7.663 4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.329 8.754 2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.728 8.456 4.292 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.068 9.431 5.919 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.564 11.088 5.572 1.00 0.00 H new ATOM 1121 N VAL A 77 -5.988 6.403 0.690 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.723 6.257 -0.560 1.00 0.00 C ATOM 1123 C VAL A 77 -7.604 5.013 -0.537 1.00 0.00 C ATOM 1124 O VAL A 77 -7.458 4.150 0.330 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.769 6.174 -1.766 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -5.141 4.791 -1.856 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.504 6.519 -3.052 1.00 0.00 C ATOM 0 H VAL A 77 -5.754 5.522 1.147 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.351 7.142 -0.663 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.970 6.902 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.470 4.751 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.578 4.587 -0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.925 4.042 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.814 6.455 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.325 5.817 -3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.901 7.532 -2.984 1.00 0.00 H new ATOM 1137 N THR A 78 -8.521 4.925 -1.496 1.00 0.00 N ATOM 1138 CA THR A 78 -9.427 3.787 -1.586 1.00 0.00 C ATOM 1139 C THR A 78 -9.198 3.002 -2.872 1.00 0.00 C ATOM 1140 O THR A 78 -9.027 3.585 -3.943 1.00 0.00 O ATOM 1141 CB THR A 78 -10.899 4.236 -1.527 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.118 5.047 -0.367 1.00 0.00 O ATOM 1143 CG2 THR A 78 -11.830 3.033 -1.493 1.00 0.00 C ATOM 0 H THR A 78 -8.656 5.629 -2.222 1.00 0.00 H new ATOM 0 HA THR A 78 -9.215 3.146 -0.730 1.00 0.00 H new ATOM 0 HB THR A 78 -11.115 4.818 -2.423 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.056 5.330 -0.338 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.864 3.374 -1.451 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.682 2.433 -2.391 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.612 2.429 -0.612 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.196 1.678 -2.759 1.00 0.00 N ATOM 1152 CA ILE A 79 -8.990 0.814 -3.915 1.00 0.00 C ATOM 1153 C ILE A 79 -10.222 -0.041 -4.189 1.00 0.00 C ATOM 1154 O ILE A 79 -10.381 -1.118 -3.616 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.772 -0.108 -3.717 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.550 0.708 -3.291 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.480 -0.881 -4.995 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -6.117 1.729 -4.318 1.00 0.00 C ATOM 0 H ILE A 79 -9.335 1.180 -1.879 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.807 1.466 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.001 -0.823 -2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.773 1.219 -2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.721 0.029 -3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.617 -1.528 -4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.346 -1.488 -5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.268 -0.181 -5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.246 2.270 -3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.862 1.223 -5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.931 2.432 -4.498 1.00 0.00 H new ATOM 1170 N GLN A 80 -11.090 0.447 -5.070 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.308 -0.274 -5.420 1.00 0.00 C ATOM 1172 C GLN A 80 -12.073 -1.190 -6.617 1.00 0.00 C ATOM 1173 O GLN A 80 -10.983 -1.216 -7.186 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.437 0.711 -5.731 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.709 1.698 -4.608 1.00 0.00 C ATOM 1176 CD GLN A 80 -14.803 2.689 -4.955 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -15.690 2.396 -5.756 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -14.746 3.870 -4.350 1.00 0.00 N ATOM 0 H GLN A 80 -10.972 1.337 -5.554 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.595 -0.888 -4.566 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.187 1.264 -6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.349 0.152 -5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -13.992 1.151 -3.709 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.793 2.241 -4.376 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -13.992 4.070 -3.693 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.456 4.577 -4.543 1.00 0.00 H new ATOM 1187 N ASN A 81 -13.103 -1.942 -6.992 1.00 0.00 N ATOM 1188 CA ASN A 81 -13.008 -2.861 -8.120 1.00 0.00 C ATOM 1189 C ASN A 81 -12.131 -4.060 -7.773 1.00 0.00 C ATOM 1190 O ASN A 81 -11.240 -4.433 -8.536 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.443 -2.140 -9.346 1.00 0.00 C ATOM 1192 CG ASN A 81 -13.091 -0.787 -9.571 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -14.195 -0.698 -10.110 1.00 0.00 O ATOM 1194 ND2 ASN A 81 -12.407 0.273 -9.158 1.00 0.00 N ATOM 0 H ASN A 81 -14.013 -1.933 -6.531 1.00 0.00 H new ATOM 0 HA ASN A 81 -14.011 -3.221 -8.348 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.368 -2.009 -9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.590 -2.762 -10.229 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.793 1.209 -9.282 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.496 0.151 -8.716 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.390 -4.660 -6.616 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.626 -5.818 -6.167 1.00 0.00 C ATOM 1203 C LEU A 82 -12.539 -7.018 -5.939 1.00 0.00 C ATOM 1204 O LEU A 82 -13.763 -6.893 -5.963 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.870 -5.486 -4.879 1.00 0.00 C ATOM 1206 CG LEU A 82 -9.974 -4.248 -4.926 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.347 -3.991 -3.565 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -8.897 -4.410 -5.989 1.00 0.00 C ATOM 0 H LEU A 82 -13.123 -4.363 -5.972 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.909 -6.074 -6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.598 -5.353 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.255 -6.345 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.589 -3.387 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.713 -3.106 -3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.133 -3.831 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.745 -4.852 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.268 -3.520 -6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.285 -5.281 -5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.365 -4.545 -6.964 1.00 0.00 H new ATOM 1220 N MET A 83 -11.934 -8.181 -5.717 1.00 0.00 N ATOM 1221 CA MET A 83 -12.694 -9.404 -5.482 1.00 0.00 C ATOM 1222 C MET A 83 -12.658 -9.790 -4.007 1.00 0.00 C ATOM 1223 O MET A 83 -11.619 -9.730 -3.349 1.00 0.00 O ATOM 1224 CB MET A 83 -12.138 -10.547 -6.334 1.00 0.00 C ATOM 1225 CG MET A 83 -12.900 -11.852 -6.171 1.00 0.00 C ATOM 1226 SD MET A 83 -14.274 -12.003 -7.329 1.00 0.00 S ATOM 1227 CE MET A 83 -13.398 -12.374 -8.847 1.00 0.00 C ATOM 0 H MET A 83 -10.921 -8.302 -5.695 1.00 0.00 H new ATOM 0 HA MET A 83 -13.730 -9.219 -5.766 1.00 0.00 H new ATOM 0 HB2 MET A 83 -12.160 -10.251 -7.383 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.093 -10.711 -6.071 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.216 -12.688 -6.314 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.280 -11.922 -5.152 1.00 0.00 H new ATOM 0 HE1 MET A 83 -14.097 -12.771 -9.583 1.00 0.00 H new ATOM 0 HE2 MET A 83 -12.941 -11.464 -9.235 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.622 -13.113 -8.648 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.819 -10.197 -3.472 1.00 0.00 N ATOM 1238 CA PRO A 84 -13.947 -10.601 -2.069 1.00 0.00 C ATOM 1239 C PRO A 84 -13.239 -11.920 -1.779 1.00 0.00 C ATOM 1240 O PRO A 84 -13.169 -12.799 -2.637 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.458 -10.752 -1.879 1.00 0.00 C ATOM 1242 CG PRO A 84 -15.984 -11.044 -3.242 1.00 0.00 C ATOM 1243 CD PRO A 84 -15.098 -10.293 -4.197 1.00 0.00 C ATOM 0 HA PRO A 84 -13.489 -9.878 -1.394 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.691 -11.558 -1.184 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.899 -9.842 -1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.961 -12.114 -3.448 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.021 -10.723 -3.337 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.985 -10.824 -5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.502 -9.308 -4.431 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.715 -12.051 -0.565 1.00 0.00 N ATOM 1252 CA ALA A 85 -12.015 -13.265 -0.162 1.00 0.00 C ATOM 1253 C ALA A 85 -10.770 -13.488 -1.013 1.00 0.00 C ATOM 1254 O ALA A 85 -10.366 -14.626 -1.254 1.00 0.00 O ATOM 1255 CB ALA A 85 -12.944 -14.466 -0.256 1.00 0.00 C ATOM 0 H ALA A 85 -12.762 -11.332 0.157 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.698 -13.146 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.408 -15.365 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.801 -14.315 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.289 -14.579 -1.284 1.00 0.00 H new ATOM 1261 N THR A 86 -10.164 -12.395 -1.466 1.00 0.00 N ATOM 1262 CA THR A 86 -8.966 -12.472 -2.292 1.00 0.00 C ATOM 1263 C THR A 86 -7.918 -11.464 -1.835 1.00 0.00 C ATOM 1264 O THR A 86 -8.195 -10.269 -1.731 1.00 0.00 O ATOM 1265 CB THR A 86 -9.290 -12.221 -3.777 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.271 -13.161 -4.229 1.00 0.00 O ATOM 1267 CG2 THR A 86 -8.037 -12.338 -4.631 1.00 0.00 C ATOM 0 H THR A 86 -10.484 -11.446 -1.274 1.00 0.00 H new ATOM 0 HA THR A 86 -8.569 -13.481 -2.180 1.00 0.00 H new ATOM 0 HB THR A 86 -9.684 -11.209 -3.875 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.112 -13.013 -3.748 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.290 -12.157 -5.676 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.303 -11.602 -4.303 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.618 -13.339 -4.528 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.712 -11.952 -1.564 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.621 -11.093 -1.121 1.00 0.00 C ATOM 1277 C VAL A 87 -5.154 -10.173 -2.243 1.00 0.00 C ATOM 1278 O VAL A 87 -5.330 -10.478 -3.423 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.423 -11.921 -0.619 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -4.599 -12.281 0.848 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -4.248 -13.172 -1.466 1.00 0.00 C ATOM 0 H VAL A 87 -6.466 -12.939 -1.644 1.00 0.00 H new ATOM 0 HA VAL A 87 -6.007 -10.491 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.521 -11.316 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.743 -12.866 1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.671 -11.369 1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.510 -12.867 0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.397 -13.745 -1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.150 -13.781 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.072 -12.887 -2.503 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.559 -9.046 -1.868 1.00 0.00 N ATOM 1292 CA TYR A 88 -4.068 -8.080 -2.843 1.00 0.00 C ATOM 1293 C TYR A 88 -2.852 -7.333 -2.305 1.00 0.00 C ATOM 1294 O TYR A 88 -2.942 -6.612 -1.310 1.00 0.00 O ATOM 1295 CB TYR A 88 -5.172 -7.085 -3.206 1.00 0.00 C ATOM 1296 CG TYR A 88 -6.165 -7.623 -4.211 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -5.803 -7.822 -5.538 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.466 -7.935 -3.833 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.708 -8.313 -6.459 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.376 -8.428 -4.748 1.00 0.00 C ATOM 1301 CZ TYR A 88 -7.993 -8.614 -6.059 1.00 0.00 C ATOM 1302 OH TYR A 88 -8.897 -9.105 -6.974 1.00 0.00 O ATOM 0 H TYR A 88 -4.405 -8.779 -0.896 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.770 -8.625 -3.739 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.704 -6.799 -2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.716 -6.180 -3.607 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.797 -7.589 -5.855 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.770 -7.790 -2.807 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.411 -8.460 -7.487 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.383 -8.667 -4.438 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.083 -10.047 -6.777 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.715 -7.510 -2.970 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.481 -6.851 -2.560 1.00 0.00 C ATOM 1314 C ILE A 89 -0.499 -5.372 -2.928 1.00 0.00 C ATOM 1315 O ILE A 89 -0.331 -5.008 -4.092 1.00 0.00 O ATOM 1316 CB ILE A 89 0.751 -7.514 -3.205 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.587 -9.035 -3.227 1.00 0.00 C ATOM 1318 CG2 ILE A 89 2.016 -7.123 -2.455 1.00 0.00 C ATOM 1319 CD1 ILE A 89 0.196 -9.620 -1.888 1.00 0.00 C ATOM 0 H ILE A 89 -1.623 -8.104 -3.794 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.414 -6.952 -1.477 1.00 0.00 H new ATOM 0 HB ILE A 89 0.838 -7.162 -4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.170 -9.300 -3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.523 -9.489 -3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.878 -7.599 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.138 -6.040 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.940 -7.449 -1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.098 -10.702 -1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.964 -9.386 -1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.755 -9.194 -1.569 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.701 -4.522 -1.926 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.741 -3.080 -2.143 1.00 0.00 C ATOM 1333 C PHE A 90 0.625 -2.453 -1.877 1.00 0.00 C ATOM 1334 O PHE A 90 1.278 -2.763 -0.881 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.796 -2.436 -1.242 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.199 -2.867 -1.559 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.736 -4.005 -0.980 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -3.981 -2.133 -2.436 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -5.027 -4.404 -1.269 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.273 -2.527 -2.729 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.797 -3.665 -2.145 1.00 0.00 C ATOM 0 H PHE A 90 -0.839 -4.807 -0.956 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.007 -2.901 -3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.575 -2.682 -0.204 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.728 -1.352 -1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.138 -4.587 -0.294 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.577 -1.243 -2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.433 -5.293 -0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.873 -1.946 -3.414 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.806 -3.975 -2.373 1.00 0.00 H new ATOM 1351 N ARG A 91 1.048 -1.569 -2.774 1.00 0.00 N ATOM 1352 CA ARG A 91 2.336 -0.899 -2.637 1.00 0.00 C ATOM 1353 C ARG A 91 2.178 0.613 -2.768 1.00 0.00 C ATOM 1354 O ARG A 91 1.725 1.115 -3.797 1.00 0.00 O ATOM 1355 CB ARG A 91 3.317 -1.413 -3.692 1.00 0.00 C ATOM 1356 CG ARG A 91 3.590 -2.905 -3.594 1.00 0.00 C ATOM 1357 CD ARG A 91 4.635 -3.348 -4.607 1.00 0.00 C ATOM 1358 NE ARG A 91 4.042 -3.654 -5.906 1.00 0.00 N ATOM 1359 CZ ARG A 91 3.392 -4.781 -6.170 1.00 0.00 C ATOM 1360 NH1 ARG A 91 3.251 -5.705 -5.230 1.00 0.00 N ATOM 1361 NH2 ARG A 91 2.881 -4.987 -7.378 1.00 0.00 N ATOM 0 H ARG A 91 0.518 -1.300 -3.603 1.00 0.00 H new ATOM 0 HA ARG A 91 2.730 -1.122 -1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.922 -1.189 -4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.259 -0.873 -3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.931 -3.148 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.665 -3.457 -3.759 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.381 -2.562 -4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.156 -4.228 -4.230 1.00 0.00 H new ATOM 0 HE ARG A 91 4.132 -2.964 -6.652 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.642 -5.551 -4.301 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.751 -6.570 -5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.988 -4.279 -8.104 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.382 -5.853 -7.580 1.00 0.00 H new ATOM 1375 N VAL A 92 2.555 1.336 -1.717 1.00 0.00 N ATOM 1376 CA VAL A 92 2.457 2.790 -1.714 1.00 0.00 C ATOM 1377 C VAL A 92 3.779 3.431 -2.121 1.00 0.00 C ATOM 1378 O VAL A 92 4.843 3.041 -1.642 1.00 0.00 O ATOM 1379 CB VAL A 92 2.046 3.322 -0.328 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.527 4.748 -0.436 1.00 0.00 C ATOM 1381 CG2 VAL A 92 1.002 2.413 0.303 1.00 0.00 C ATOM 0 H VAL A 92 2.931 0.937 -0.857 1.00 0.00 H new ATOM 0 HA VAL A 92 1.689 3.057 -2.440 1.00 0.00 H new ATOM 0 HB VAL A 92 2.926 3.328 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.241 5.107 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.308 5.390 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.659 4.770 -1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.723 2.804 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.120 2.373 -0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.414 1.410 0.417 1.00 0.00 H new ATOM 1391 N MET A 93 3.703 4.418 -3.008 1.00 0.00 N ATOM 1392 CA MET A 93 4.895 5.116 -3.478 1.00 0.00 C ATOM 1393 C MET A 93 4.642 6.617 -3.577 1.00 0.00 C ATOM 1394 O MET A 93 3.517 7.052 -3.819 1.00 0.00 O ATOM 1395 CB MET A 93 5.328 4.568 -4.839 1.00 0.00 C ATOM 1396 CG MET A 93 6.649 5.137 -5.330 1.00 0.00 C ATOM 1397 SD MET A 93 7.441 4.088 -6.565 1.00 0.00 S ATOM 1398 CE MET A 93 6.094 3.850 -7.721 1.00 0.00 C ATOM 0 H MET A 93 2.830 4.752 -3.416 1.00 0.00 H new ATOM 0 HA MET A 93 5.694 4.948 -2.756 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.410 3.483 -4.775 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.552 4.786 -5.573 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.479 6.126 -5.755 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.322 5.266 -4.482 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.487 3.822 -8.737 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.588 2.910 -7.501 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.386 4.673 -7.629 1.00 0.00 H new ATOM 1408 N ALA A 94 5.697 7.403 -3.390 1.00 0.00 N ATOM 1409 CA ALA A 94 5.590 8.855 -3.460 1.00 0.00 C ATOM 1410 C ALA A 94 6.107 9.380 -4.795 1.00 0.00 C ATOM 1411 O ALA A 94 6.974 8.768 -5.418 1.00 0.00 O ATOM 1412 CB ALA A 94 6.348 9.497 -2.308 1.00 0.00 C ATOM 0 H ALA A 94 6.636 7.058 -3.189 1.00 0.00 H new ATOM 0 HA ALA A 94 4.536 9.121 -3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.259 10.581 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.929 9.155 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.400 9.215 -2.362 1.00 0.00 H new ATOM 1418 N GLN A 95 5.570 10.516 -5.228 1.00 0.00 N ATOM 1419 CA GLN A 95 5.977 11.121 -6.490 1.00 0.00 C ATOM 1420 C GLN A 95 6.017 12.642 -6.377 1.00 0.00 C ATOM 1421 O GLN A 95 5.047 13.268 -5.952 1.00 0.00 O ATOM 1422 CB GLN A 95 5.023 10.706 -7.611 1.00 0.00 C ATOM 1423 CG GLN A 95 5.471 9.464 -8.363 1.00 0.00 C ATOM 1424 CD GLN A 95 4.306 8.646 -8.886 1.00 0.00 C ATOM 1425 OE1 GLN A 95 3.213 9.170 -9.102 1.00 0.00 O ATOM 1426 NE2 GLN A 95 4.535 7.355 -9.094 1.00 0.00 N ATOM 0 H GLN A 95 4.852 11.036 -4.723 1.00 0.00 H new ATOM 0 HA GLN A 95 6.980 10.766 -6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.035 10.527 -7.188 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.924 11.531 -8.316 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.107 9.759 -9.198 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.078 8.844 -7.704 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.457 6.963 -8.901 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.789 6.755 -9.447 1.00 0.00 H new ATOM 1435 N ASN A 96 7.147 13.229 -6.759 1.00 0.00 N ATOM 1436 CA ASN A 96 7.313 14.677 -6.699 1.00 0.00 C ATOM 1437 C ASN A 96 7.617 15.247 -8.081 1.00 0.00 C ATOM 1438 O ASN A 96 7.595 14.528 -9.081 1.00 0.00 O ATOM 1439 CB ASN A 96 8.436 15.042 -5.726 1.00 0.00 C ATOM 1440 CG ASN A 96 9.804 14.645 -6.247 1.00 0.00 C ATOM 1441 OD1 ASN A 96 10.627 15.499 -6.577 1.00 0.00 O ATOM 1442 ND2 ASN A 96 10.053 13.343 -6.323 1.00 0.00 N ATOM 0 H ASN A 96 7.960 12.725 -7.113 1.00 0.00 H new ATOM 0 HA ASN A 96 6.378 15.111 -6.344 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.418 16.116 -5.541 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.258 14.551 -4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.956 13.016 -6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.341 12.670 -6.039 1.00 0.00 H new ATOM 1449 N LYS A 97 7.902 16.543 -8.131 1.00 0.00 N ATOM 1450 CA LYS A 97 8.213 17.212 -9.389 1.00 0.00 C ATOM 1451 C LYS A 97 9.221 16.403 -10.200 1.00 0.00 C ATOM 1452 O LYS A 97 9.342 16.581 -11.413 1.00 0.00 O ATOM 1453 CB LYS A 97 8.765 18.614 -9.123 1.00 0.00 C ATOM 1454 CG LYS A 97 10.040 18.619 -8.297 1.00 0.00 C ATOM 1455 CD LYS A 97 10.310 19.988 -7.697 1.00 0.00 C ATOM 1456 CE LYS A 97 11.082 20.878 -8.659 1.00 0.00 C ATOM 1457 NZ LYS A 97 10.174 21.625 -9.573 1.00 0.00 N ATOM 0 H LYS A 97 7.924 17.153 -7.313 1.00 0.00 H new ATOM 0 HA LYS A 97 7.291 17.295 -9.965 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.958 19.106 -10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.006 19.203 -8.608 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.961 17.880 -7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.882 18.323 -8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.365 20.465 -7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.875 19.875 -6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.689 21.584 -8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.768 20.268 -9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.505 21.519 -10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.209 21.246 -9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.173 22.632 -9.315 1.00 0.00 H new ATOM 1471 N HIS A 98 9.941 15.513 -9.524 1.00 0.00 N ATOM 1472 CA HIS A 98 10.936 14.676 -10.183 1.00 0.00 C ATOM 1473 C HIS A 98 10.277 13.474 -10.854 1.00 0.00 C ATOM 1474 O HIS A 98 10.296 13.346 -12.077 1.00 0.00 O ATOM 1475 CB HIS A 98 11.982 14.200 -9.174 1.00 0.00 C ATOM 1476 CG HIS A 98 12.767 15.316 -8.554 1.00 0.00 C ATOM 1477 ND1 HIS A 98 13.242 16.392 -9.274 1.00 0.00 N ATOM 1478 CD2 HIS A 98 13.157 15.519 -7.274 1.00 0.00 C ATOM 1479 CE1 HIS A 98 13.892 17.208 -8.463 1.00 0.00 C ATOM 1480 NE2 HIS A 98 13.855 16.701 -7.244 1.00 0.00 N ATOM 0 H HIS A 98 9.854 15.353 -8.520 1.00 0.00 H new ATOM 0 HA HIS A 98 11.427 15.275 -10.950 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.484 13.635 -8.386 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.669 13.515 -9.671 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.957 14.872 -6.433 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.372 18.132 -8.748 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.277 17.120 -6.415 1.00 0.00 H new ATOM 1489 N GLY A 99 9.694 12.595 -10.044 1.00 0.00 N ATOM 1490 CA GLY A 99 9.039 11.416 -10.577 1.00 0.00 C ATOM 1491 C GLY A 99 8.761 10.375 -9.511 1.00 0.00 C ATOM 1492 O GLY A 99 8.421 10.713 -8.377 1.00 0.00 O ATOM 0 H GLY A 99 9.664 12.679 -9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.101 11.708 -11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.664 10.977 -11.355 1.00 0.00 H new ATOM 1496 N SER A 100 8.903 9.104 -9.875 1.00 0.00 N ATOM 1497 CA SER A 100 8.660 8.010 -8.943 1.00 0.00 C ATOM 1498 C SER A 100 9.929 7.661 -8.172 1.00 0.00 C ATOM 1499 O SER A 100 10.956 7.327 -8.762 1.00 0.00 O ATOM 1500 CB SER A 100 8.150 6.778 -9.692 1.00 0.00 C ATOM 1501 OG SER A 100 9.009 6.443 -10.768 1.00 0.00 O ATOM 0 H SER A 100 9.185 8.807 -10.809 1.00 0.00 H new ATOM 0 HA SER A 100 7.901 8.334 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.077 5.935 -9.005 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.146 6.968 -10.070 1.00 0.00 H new ATOM 0 HG SER A 100 9.935 6.654 -10.525 1.00 0.00 H new ATOM 1507 N GLY A 101 9.850 7.741 -6.847 1.00 0.00 N ATOM 1508 CA GLY A 101 10.998 7.431 -6.015 1.00 0.00 C ATOM 1509 C GLY A 101 11.077 5.959 -5.660 1.00 0.00 C ATOM 1510 O GLY A 101 11.164 5.106 -6.542 1.00 0.00 O ATOM 0 H GLY A 101 9.011 8.015 -6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.910 7.726 -6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.949 8.020 -5.099 1.00 0.00 H new ATOM 1514 N GLU A 102 11.048 5.662 -4.365 1.00 0.00 N ATOM 1515 CA GLU A 102 11.119 4.283 -3.896 1.00 0.00 C ATOM 1516 C GLU A 102 9.731 3.754 -3.548 1.00 0.00 C ATOM 1517 O GLU A 102 8.944 4.434 -2.889 1.00 0.00 O ATOM 1518 CB GLU A 102 12.036 4.182 -2.676 1.00 0.00 C ATOM 1519 CG GLU A 102 12.076 2.795 -2.057 1.00 0.00 C ATOM 1520 CD GLU A 102 13.044 2.703 -0.894 1.00 0.00 C ATOM 1521 OE1 GLU A 102 14.068 3.419 -0.916 1.00 0.00 O ATOM 1522 OE2 GLU A 102 12.780 1.915 0.038 1.00 0.00 O ATOM 0 H GLU A 102 10.976 6.357 -3.622 1.00 0.00 H new ATOM 0 HA GLU A 102 11.529 3.674 -4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 102 13.046 4.470 -2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.705 4.897 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.077 2.525 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.360 2.069 -2.819 1.00 0.00 H new ATOM 1529 N SER A 103 9.438 2.538 -3.996 1.00 0.00 N ATOM 1530 CA SER A 103 8.143 1.919 -3.736 1.00 0.00 C ATOM 1531 C SER A 103 8.123 1.260 -2.360 1.00 0.00 C ATOM 1532 O SER A 103 8.990 0.449 -2.035 1.00 0.00 O ATOM 1533 CB SER A 103 7.824 0.882 -4.815 1.00 0.00 C ATOM 1534 OG SER A 103 8.201 1.350 -6.099 1.00 0.00 O ATOM 0 H SER A 103 10.079 1.961 -4.541 1.00 0.00 H new ATOM 0 HA SER A 103 7.383 2.700 -3.757 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.347 -0.049 -4.596 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.757 0.658 -4.805 1.00 0.00 H new ATOM 0 HG SER A 103 7.563 2.030 -6.400 1.00 0.00 H new ATOM 1540 N SER A 104 7.125 1.615 -1.556 1.00 0.00 N ATOM 1541 CA SER A 104 6.993 1.063 -0.213 1.00 0.00 C ATOM 1542 C SER A 104 6.941 -0.462 -0.256 1.00 0.00 C ATOM 1543 O SER A 104 6.929 -1.063 -1.329 1.00 0.00 O ATOM 1544 CB SER A 104 5.733 1.608 0.463 1.00 0.00 C ATOM 1545 OG SER A 104 4.563 1.107 -0.159 1.00 0.00 O ATOM 0 H SER A 104 6.397 2.282 -1.812 1.00 0.00 H new ATOM 0 HA SER A 104 7.867 1.364 0.365 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.734 1.333 1.518 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.735 2.697 0.418 1.00 0.00 H new ATOM 0 HG SER A 104 4.595 1.299 -1.120 1.00 0.00 H new ATOM 1551 N ALA A 105 6.912 -1.080 0.920 1.00 0.00 N ATOM 1552 CA ALA A 105 6.860 -2.533 1.019 1.00 0.00 C ATOM 1553 C ALA A 105 5.477 -3.059 0.649 1.00 0.00 C ATOM 1554 O ALA A 105 4.457 -2.408 0.878 1.00 0.00 O ATOM 1555 CB ALA A 105 7.239 -2.981 2.422 1.00 0.00 C ATOM 0 H ALA A 105 6.924 -0.596 1.818 1.00 0.00 H new ATOM 0 HA ALA A 105 7.579 -2.946 0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.196 -4.069 2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.251 -2.645 2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.543 -2.551 3.142 1.00 0.00 H new ATOM 1561 N PRO A 106 5.439 -4.265 0.063 1.00 0.00 N ATOM 1562 CA PRO A 106 4.187 -4.905 -0.351 1.00 0.00 C ATOM 1563 C PRO A 106 3.342 -5.348 0.839 1.00 0.00 C ATOM 1564 O PRO A 106 3.771 -6.174 1.645 1.00 0.00 O ATOM 1565 CB PRO A 106 4.658 -6.120 -1.154 1.00 0.00 C ATOM 1566 CG PRO A 106 6.016 -6.422 -0.623 1.00 0.00 C ATOM 1567 CD PRO A 106 6.616 -5.097 -0.240 1.00 0.00 C ATOM 0 HA PRO A 106 3.549 -4.225 -0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.984 -6.967 -1.022 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.690 -5.901 -2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.959 -7.088 0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.626 -6.924 -1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.276 -5.189 0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.209 -4.675 -1.051 1.00 0.00 H new ATOM 1575 N LEU A 107 2.138 -4.794 0.942 1.00 0.00 N ATOM 1576 CA LEU A 107 1.232 -5.133 2.034 1.00 0.00 C ATOM 1577 C LEU A 107 0.217 -6.183 1.593 1.00 0.00 C ATOM 1578 O LEU A 107 -0.395 -6.062 0.532 1.00 0.00 O ATOM 1579 CB LEU A 107 0.505 -3.881 2.527 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.518 -4.094 3.643 1.00 0.00 C ATOM 1581 CD1 LEU A 107 0.170 -4.565 4.915 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.300 -2.814 3.901 1.00 0.00 C ATOM 0 H LEU A 107 1.767 -4.109 0.283 1.00 0.00 H new ATOM 0 HA LEU A 107 1.825 -5.547 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.250 -3.166 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -0.003 -3.423 1.679 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.218 -4.867 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.574 -4.711 5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.685 -5.506 4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.893 -3.815 5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.024 -2.984 4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.613 -2.021 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.824 -2.519 2.992 1.00 0.00 H new ATOM 1594 N ARG A 108 0.043 -7.212 2.415 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.899 -8.283 2.111 1.00 0.00 C ATOM 1596 C ARG A 108 -2.250 -8.023 2.770 1.00 0.00 C ATOM 1597 O ARG A 108 -2.388 -8.129 3.989 1.00 0.00 O ATOM 1598 CB ARG A 108 -0.341 -9.629 2.578 1.00 0.00 C ATOM 1599 CG ARG A 108 -1.085 -10.826 2.009 1.00 0.00 C ATOM 1600 CD ARG A 108 -0.233 -12.085 2.057 1.00 0.00 C ATOM 1601 NE ARG A 108 0.574 -12.246 0.850 1.00 0.00 N ATOM 1602 CZ ARG A 108 1.514 -13.174 0.714 1.00 0.00 C ATOM 1603 NH1 ARG A 108 1.764 -14.021 1.703 1.00 0.00 N ATOM 1604 NH2 ARG A 108 2.207 -13.257 -0.415 1.00 0.00 N ATOM 0 H ARG A 108 0.542 -7.327 3.297 1.00 0.00 H new ATOM 0 HA ARG A 108 -1.042 -8.312 1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 108 0.709 -9.696 2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.380 -9.671 3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.004 -10.986 2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.374 -10.620 0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 108 0.421 -12.047 2.928 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -0.878 -12.955 2.180 1.00 0.00 H new ATOM 0 HE ARG A 108 0.406 -11.611 0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 108 1.233 -13.961 2.572 1.00 0.00 H new ATOM 0 HH12 ARG A 108 2.487 -14.732 1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 108 2.018 -12.608 -1.179 1.00 0.00 H new ATOM 0 HH22 ARG A 108 2.929 -13.970 -0.519 1.00 0.00 H new ATOM 1618 N VAL A 109 -3.244 -7.682 1.956 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.584 -7.408 2.460 1.00 0.00 C ATOM 1620 C VAL A 109 -5.604 -8.371 1.862 1.00 0.00 C ATOM 1621 O VAL A 109 -5.715 -8.494 0.643 1.00 0.00 O ATOM 1622 CB VAL A 109 -5.016 -5.962 2.149 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.425 -5.704 2.659 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -4.032 -4.972 2.753 1.00 0.00 C ATOM 0 H VAL A 109 -3.146 -7.589 0.945 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.550 -7.545 3.541 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.017 -5.826 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.713 -4.678 2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.119 -6.392 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.455 -5.857 3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.352 -3.955 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.998 -5.107 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.040 -5.143 2.334 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.347 -9.051 2.730 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.358 -10.004 2.287 1.00 0.00 C ATOM 1636 C GLU A 110 -8.763 -9.462 2.536 1.00 0.00 C ATOM 1637 O GLU A 110 -9.128 -9.146 3.669 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.180 -11.342 3.007 1.00 0.00 C ATOM 1639 CG GLU A 110 -8.064 -12.450 2.459 1.00 0.00 C ATOM 1640 CD GLU A 110 -8.009 -13.710 3.301 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -8.623 -13.724 4.389 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -7.352 -14.681 2.872 1.00 0.00 O ATOM 0 H GLU A 110 -6.268 -8.960 3.743 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.231 -10.157 1.215 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.137 -11.650 2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.396 -11.206 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.094 -12.096 2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.756 -12.685 1.440 1.00 0.00 H new ATOM 1649 N THR A 111 -9.548 -9.355 1.469 1.00 0.00 N ATOM 1650 CA THR A 111 -10.911 -8.850 1.570 1.00 0.00 C ATOM 1651 C THR A 111 -11.795 -9.807 2.362 1.00 0.00 C ATOM 1652 O THR A 111 -11.349 -10.875 2.779 1.00 0.00 O ATOM 1653 CB THR A 111 -11.533 -8.628 0.178 1.00 0.00 C ATOM 1654 OG1 THR A 111 -11.201 -9.721 -0.686 1.00 0.00 O ATOM 1655 CG2 THR A 111 -11.041 -7.325 -0.432 1.00 0.00 C ATOM 0 H THR A 111 -9.263 -9.612 0.524 1.00 0.00 H new ATOM 0 HA THR A 111 -10.856 -7.895 2.092 1.00 0.00 H new ATOM 0 HB THR A 111 -12.616 -8.571 0.292 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.386 -9.471 -1.615 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.493 -7.190 -1.414 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.320 -6.493 0.214 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.956 -7.358 -0.533 1.00 0.00 H new ATOM 1663 N GLN A 112 -13.049 -9.418 2.564 1.00 0.00 N ATOM 1664 CA GLN A 112 -13.995 -10.243 3.306 1.00 0.00 C ATOM 1665 C GLN A 112 -14.946 -10.967 2.359 1.00 0.00 C ATOM 1666 O GLN A 112 -15.383 -10.424 1.344 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.792 -9.383 4.289 1.00 0.00 C ATOM 1668 CG GLN A 112 -14.045 -8.145 4.759 1.00 0.00 C ATOM 1669 CD GLN A 112 -12.875 -8.478 5.664 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -12.465 -9.634 5.768 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -12.331 -7.463 6.325 1.00 0.00 N ATOM 0 H GLN A 112 -13.434 -8.537 2.224 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.429 -10.989 3.863 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.725 -9.076 3.817 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -15.057 -9.988 5.156 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.683 -7.593 3.892 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -14.735 -7.489 5.290 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.703 -6.521 6.209 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.541 -7.626 6.949 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.274 -12.223 2.696 1.00 0.00 N ATOM 1681 CA PRO A 113 -16.177 -13.049 1.888 1.00 0.00 C ATOM 1682 C PRO A 113 -17.618 -12.554 1.940 1.00 0.00 C ATOM 1683 O PRO A 113 -18.337 -12.813 2.904 1.00 0.00 O ATOM 1684 CB PRO A 113 -16.063 -14.433 2.532 1.00 0.00 C ATOM 1685 CG PRO A 113 -15.654 -14.163 3.939 1.00 0.00 C ATOM 1686 CD PRO A 113 -14.790 -12.934 3.891 1.00 0.00 C ATOM 0 HA PRO A 113 -15.909 -13.032 0.832 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.012 -14.968 2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.327 -15.050 2.017 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.525 -14.003 4.575 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.107 -15.009 4.355 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.901 -12.329 4.791 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.734 -13.189 3.807 1.00 0.00 H new ATOM 1694 N GLU A 114 -18.033 -11.842 0.897 1.00 0.00 N ATOM 1695 CA GLU A 114 -19.389 -11.311 0.826 1.00 0.00 C ATOM 1696 C GLU A 114 -20.366 -12.378 0.344 1.00 0.00 C ATOM 1697 O GLU A 114 -21.480 -12.492 0.855 1.00 0.00 O ATOM 1698 CB GLU A 114 -19.438 -10.099 -0.107 1.00 0.00 C ATOM 1699 CG GLU A 114 -19.020 -10.413 -1.534 1.00 0.00 C ATOM 1700 CD GLU A 114 -19.269 -9.256 -2.483 1.00 0.00 C ATOM 1701 OE1 GLU A 114 -19.172 -8.094 -2.037 1.00 0.00 O ATOM 1702 OE2 GLU A 114 -19.561 -9.513 -3.669 1.00 0.00 O ATOM 0 H GLU A 114 -17.450 -11.620 0.090 1.00 0.00 H new ATOM 0 HA GLU A 114 -19.683 -11.000 1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -20.451 -9.697 -0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -18.788 -9.319 0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.961 -10.670 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -19.566 -11.289 -1.884 1.00 0.00 H new ATOM 1709 N SER A 115 -19.941 -13.158 -0.645 1.00 0.00 N ATOM 1710 CA SER A 115 -20.780 -14.214 -1.200 1.00 0.00 C ATOM 1711 C SER A 115 -20.826 -15.420 -0.266 1.00 0.00 C ATOM 1712 O SER A 115 -21.899 -15.920 0.067 1.00 0.00 O ATOM 1713 CB SER A 115 -20.258 -14.639 -2.574 1.00 0.00 C ATOM 1714 OG SER A 115 -21.175 -15.502 -3.224 1.00 0.00 O ATOM 0 H SER A 115 -19.021 -13.079 -1.078 1.00 0.00 H new ATOM 0 HA SER A 115 -21.791 -13.822 -1.308 1.00 0.00 H new ATOM 0 HB2 SER A 115 -20.086 -13.756 -3.190 1.00 0.00 H new ATOM 0 HB3 SER A 115 -19.298 -15.142 -2.462 1.00 0.00 H new ATOM 0 HG SER A 115 -20.819 -15.758 -4.100 1.00 0.00 H new ATOM 1720 N GLY A 116 -19.651 -15.881 0.153 1.00 0.00 N ATOM 1721 CA GLY A 116 -19.579 -17.024 1.045 1.00 0.00 C ATOM 1722 C GLY A 116 -20.332 -16.797 2.341 1.00 0.00 C ATOM 1723 O GLY A 116 -20.424 -15.676 2.842 1.00 0.00 O ATOM 0 H GLY A 116 -18.749 -15.484 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -19.986 -17.901 0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -18.535 -17.241 1.269 1.00 0.00 H new ATOM 1727 N PRO A 117 -20.890 -17.879 2.903 1.00 0.00 N ATOM 1728 CA PRO A 117 -21.650 -17.819 4.155 1.00 0.00 C ATOM 1729 C PRO A 117 -20.761 -17.530 5.359 1.00 0.00 C ATOM 1730 O PRO A 117 -19.536 -17.626 5.276 1.00 0.00 O ATOM 1731 CB PRO A 117 -22.263 -19.217 4.265 1.00 0.00 C ATOM 1732 CG PRO A 117 -21.349 -20.095 3.483 1.00 0.00 C ATOM 1733 CD PRO A 117 -20.820 -19.246 2.360 1.00 0.00 C ATOM 0 HA PRO A 117 -22.387 -17.016 4.147 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -22.329 -19.540 5.304 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -23.275 -19.238 3.860 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -20.537 -20.467 4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -21.879 -20.966 3.098 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -19.799 -19.521 2.095 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -21.423 -19.351 1.458 1.00 0.00 H new ATOM 1741 N SER A 118 -21.385 -17.177 6.478 1.00 0.00 N ATOM 1742 CA SER A 118 -20.649 -16.871 7.700 1.00 0.00 C ATOM 1743 C SER A 118 -21.251 -17.604 8.895 1.00 0.00 C ATOM 1744 O SER A 118 -22.419 -17.994 8.873 1.00 0.00 O ATOM 1745 CB SER A 118 -20.652 -15.363 7.958 1.00 0.00 C ATOM 1746 OG SER A 118 -21.971 -14.880 8.147 1.00 0.00 O ATOM 0 H SER A 118 -22.398 -17.096 6.564 1.00 0.00 H new ATOM 0 HA SER A 118 -19.621 -17.208 7.570 1.00 0.00 H new ATOM 0 HB2 SER A 118 -20.050 -15.141 8.839 1.00 0.00 H new ATOM 0 HB3 SER A 118 -20.189 -14.846 7.117 1.00 0.00 H new ATOM 0 HG SER A 118 -21.945 -13.914 8.312 1.00 0.00 H new ATOM 1752 N SER A 119 -20.446 -17.788 9.936 1.00 0.00 N ATOM 1753 CA SER A 119 -20.897 -18.477 11.139 1.00 0.00 C ATOM 1754 C SER A 119 -21.524 -17.496 12.125 1.00 0.00 C ATOM 1755 O SER A 119 -20.876 -16.552 12.576 1.00 0.00 O ATOM 1756 CB SER A 119 -19.727 -19.207 11.802 1.00 0.00 C ATOM 1757 OG SER A 119 -19.038 -20.020 10.869 1.00 0.00 O ATOM 0 H SER A 119 -19.478 -17.469 9.971 1.00 0.00 H new ATOM 0 HA SER A 119 -21.654 -19.206 10.849 1.00 0.00 H new ATOM 0 HB2 SER A 119 -19.039 -18.480 12.234 1.00 0.00 H new ATOM 0 HB3 SER A 119 -20.096 -19.823 12.622 1.00 0.00 H new ATOM 0 HG SER A 119 -18.294 -20.474 11.317 1.00 0.00 H new ATOM 1763 N GLY A 120 -22.791 -17.727 12.455 1.00 0.00 N ATOM 1764 CA GLY A 120 -23.485 -16.856 13.385 1.00 0.00 C ATOM 1765 C GLY A 120 -23.632 -15.442 12.856 1.00 0.00 C ATOM 1766 O GLY A 120 -24.333 -15.210 11.872 1.00 0.00 O ATOM 0 H GLY A 120 -23.349 -18.501 12.095 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -24.473 -17.267 13.595 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -22.942 -16.833 14.330 1.00 0.00 H new TER 1770 GLY A 120