USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 780 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 36 SER OG : rot 37:sc= 0.995 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -171:sc= 0.49 (180deg=-0.212) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0127 (180deg=-0.258) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -58:sc= 0.0206 USER MOD Single : A 5 HIS : no HD1:sc= -0.0175 X(o=-0.017,f=-0.33) USER MOD Single : A 7 HIS : no HD1:sc= -0.0294 X(o=-0.029,f=-0.022) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.0149 X(o=-0.015,f=-0.46) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN :FLIP amide:sc= 0.51 F(o=0,f=0.51) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 162:sc= -0.102 (180deg=-0.528) USER MOD Single : A 25 ASN : amide:sc= 0.193 X(o=0.19,f=0) USER MOD Single : A 27 MET CE :methyl 137:sc= -0.139 (180deg=-1.17) USER MOD Single : A 30 HIS : no HD1:sc= -0.047 K(o=-0.047,f=-0.56) USER MOD Single : A 33 THR OG1 : rot 67:sc= 1.05 USER MOD Single : A 39 SER OG : rot 83:sc= -0.87 USER MOD Single : A 47 SER OG : rot 180:sc= -0.041 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -154:sc= -3.37! (180deg=-4.35!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 78:sc= 0.838 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0362) USER MOD Single : A 76 THR OG1 : rot 71:sc= 0.0202 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 167:sc= -0.0221 (180deg=-0.182) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -51.650 0.554 -20.076 1.00 0.00 N ATOM 2 CA MET A 1 -50.909 1.834 -20.062 1.00 0.00 C ATOM 3 C MET A 1 -50.072 1.929 -18.776 1.00 0.00 C ATOM 4 O MET A 1 -50.590 1.671 -17.681 1.00 0.00 O ATOM 5 CB MET A 1 -51.902 3.030 -20.155 1.00 0.00 C ATOM 6 CG MET A 1 -52.801 3.020 -21.405 1.00 0.00 C ATOM 7 SD MET A 1 -54.036 4.340 -21.378 1.00 0.00 S ATOM 8 CE MET A 1 -54.950 4.029 -22.893 1.00 0.00 C ATOM 0 H1 MET A 1 -52.022 0.379 -21.031 1.00 0.00 H new ATOM 0 H2 MET A 1 -51.010 -0.220 -19.806 1.00 0.00 H new ATOM 0 H3 MET A 1 -52.439 0.602 -19.400 1.00 0.00 H new ATOM 0 HA MET A 1 -50.242 1.874 -20.923 1.00 0.00 H new ATOM 0 HB2 MET A 1 -52.535 3.029 -19.268 1.00 0.00 H new ATOM 0 HB3 MET A 1 -51.333 3.960 -20.140 1.00 0.00 H new ATOM 0 HG2 MET A 1 -52.181 3.125 -22.296 1.00 0.00 H new ATOM 0 HG3 MET A 1 -53.305 2.056 -21.479 1.00 0.00 H new ATOM 0 HE1 MET A 1 -55.741 4.771 -22.999 1.00 0.00 H new ATOM 0 HE2 MET A 1 -54.274 4.094 -23.746 1.00 0.00 H new ATOM 0 HE3 MET A 1 -55.390 3.032 -22.854 1.00 0.00 H new ATOM 20 N GLY A 2 -48.788 2.301 -18.916 1.00 0.00 N ATOM 21 CA GLY A 2 -47.885 2.474 -17.778 1.00 0.00 C ATOM 22 C GLY A 2 -46.973 1.272 -17.580 1.00 0.00 C ATOM 23 O GLY A 2 -47.256 0.402 -16.747 1.00 0.00 O ATOM 0 H GLY A 2 -48.354 2.488 -19.820 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -47.279 3.367 -17.930 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -48.471 2.637 -16.873 1.00 0.00 H new ATOM 27 N SER A 3 -45.894 1.222 -18.375 1.00 0.00 N ATOM 28 CA SER A 3 -44.870 0.167 -18.313 1.00 0.00 C ATOM 29 C SER A 3 -43.610 0.641 -19.054 1.00 0.00 C ATOM 30 O SER A 3 -43.701 1.379 -20.040 1.00 0.00 O ATOM 31 CB SER A 3 -45.399 -1.161 -18.920 1.00 0.00 C ATOM 32 OG SER A 3 -45.927 -0.975 -20.227 1.00 0.00 O ATOM 0 H SER A 3 -45.705 1.924 -19.090 1.00 0.00 H new ATOM 0 HA SER A 3 -44.623 -0.027 -17.269 1.00 0.00 H new ATOM 0 HB2 SER A 3 -44.590 -1.891 -18.956 1.00 0.00 H new ATOM 0 HB3 SER A 3 -46.172 -1.574 -18.272 1.00 0.00 H new ATOM 0 HG SER A 3 -46.248 -1.833 -20.575 1.00 0.00 H new ATOM 38 N SER A 4 -42.441 0.222 -18.550 1.00 0.00 N ATOM 39 CA SER A 4 -41.123 0.541 -19.126 1.00 0.00 C ATOM 40 C SER A 4 -40.132 -0.551 -18.679 1.00 0.00 C ATOM 41 O SER A 4 -39.120 -0.277 -18.013 1.00 0.00 O ATOM 42 CB SER A 4 -40.674 1.964 -18.678 1.00 0.00 C ATOM 43 OG SER A 4 -39.469 2.374 -19.316 1.00 0.00 O ATOM 0 H SER A 4 -42.382 -0.360 -17.714 1.00 0.00 H new ATOM 0 HA SER A 4 -41.164 0.554 -20.215 1.00 0.00 H new ATOM 0 HB2 SER A 4 -41.464 2.680 -18.903 1.00 0.00 H new ATOM 0 HB3 SER A 4 -40.533 1.975 -17.597 1.00 0.00 H new ATOM 0 HG SER A 4 -38.758 1.729 -19.118 1.00 0.00 H new ATOM 49 N HIS A 5 -40.463 -1.811 -19.046 1.00 0.00 N ATOM 50 CA HIS A 5 -39.719 -2.999 -18.614 1.00 0.00 C ATOM 51 C HIS A 5 -38.314 -3.044 -19.242 1.00 0.00 C ATOM 52 O HIS A 5 -38.169 -3.015 -20.469 1.00 0.00 O ATOM 53 CB HIS A 5 -40.494 -4.294 -18.968 1.00 0.00 C ATOM 54 CG HIS A 5 -39.796 -5.563 -18.526 1.00 0.00 C ATOM 55 ND1 HIS A 5 -38.835 -6.196 -19.285 1.00 0.00 N ATOM 56 CD2 HIS A 5 -39.897 -6.287 -17.386 1.00 0.00 C ATOM 57 CE1 HIS A 5 -38.385 -7.247 -18.638 1.00 0.00 C ATOM 58 NE2 HIS A 5 -39.010 -7.322 -17.486 1.00 0.00 N ATOM 0 H HIS A 5 -41.256 -2.024 -19.651 1.00 0.00 H new ATOM 0 HA HIS A 5 -39.609 -2.935 -17.531 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -41.481 -4.253 -18.507 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -40.647 -4.331 -20.046 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -40.555 -6.085 -16.554 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -37.630 -7.932 -18.993 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -38.858 -8.040 -16.777 1.00 0.00 H new ATOM 67 N ASP A 6 -37.298 -3.125 -18.373 1.00 0.00 N ATOM 68 CA ASP A 6 -35.890 -3.299 -18.751 1.00 0.00 C ATOM 69 C ASP A 6 -35.207 -4.139 -17.659 1.00 0.00 C ATOM 70 O ASP A 6 -35.111 -3.700 -16.508 1.00 0.00 O ATOM 71 CB ASP A 6 -35.190 -1.917 -18.920 1.00 0.00 C ATOM 72 CG ASP A 6 -33.703 -2.035 -19.320 1.00 0.00 C ATOM 73 OD1 ASP A 6 -32.836 -2.118 -18.422 1.00 0.00 O ATOM 74 OD2 ASP A 6 -33.399 -2.067 -20.534 1.00 0.00 O ATOM 0 H ASP A 6 -37.436 -3.070 -17.364 1.00 0.00 H new ATOM 0 HA ASP A 6 -35.817 -3.812 -19.710 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -35.719 -1.339 -19.678 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -35.265 -1.362 -17.985 1.00 0.00 H new ATOM 79 N HIS A 7 -34.748 -5.347 -18.022 1.00 0.00 N ATOM 80 CA HIS A 7 -34.131 -6.301 -17.069 1.00 0.00 C ATOM 81 C HIS A 7 -32.639 -6.501 -17.426 1.00 0.00 C ATOM 82 O HIS A 7 -32.095 -7.612 -17.324 1.00 0.00 O ATOM 83 CB HIS A 7 -34.937 -7.640 -17.092 1.00 0.00 C ATOM 84 CG HIS A 7 -34.643 -8.594 -15.959 1.00 0.00 C ATOM 85 ND1 HIS A 7 -34.805 -9.963 -16.063 1.00 0.00 N ATOM 86 CD2 HIS A 7 -34.237 -8.368 -14.684 1.00 0.00 C ATOM 87 CE1 HIS A 7 -34.515 -10.523 -14.908 1.00 0.00 C ATOM 88 NE2 HIS A 7 -34.169 -9.580 -14.058 1.00 0.00 N ATOM 0 H HIS A 7 -34.791 -5.695 -18.980 1.00 0.00 H new ATOM 0 HA HIS A 7 -34.168 -5.909 -16.053 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -36.001 -7.404 -17.078 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -34.736 -8.149 -18.034 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -34.010 -7.408 -14.245 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -34.554 -11.581 -14.693 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -33.894 -9.730 -13.087 1.00 0.00 H new ATOM 97 N HIS A 8 -31.977 -5.381 -17.812 1.00 0.00 N ATOM 98 CA HIS A 8 -30.550 -5.369 -18.188 1.00 0.00 C ATOM 99 C HIS A 8 -29.673 -5.871 -17.021 1.00 0.00 C ATOM 100 O HIS A 8 -29.787 -5.385 -15.889 1.00 0.00 O ATOM 101 CB HIS A 8 -30.104 -3.947 -18.630 1.00 0.00 C ATOM 102 CG HIS A 8 -28.678 -3.860 -19.147 1.00 0.00 C ATOM 103 ND1 HIS A 8 -28.351 -3.977 -20.480 1.00 0.00 N ATOM 104 CD2 HIS A 8 -27.497 -3.660 -18.499 1.00 0.00 C ATOM 105 CE1 HIS A 8 -27.048 -3.855 -20.626 1.00 0.00 C ATOM 106 NE2 HIS A 8 -26.514 -3.662 -19.443 1.00 0.00 N ATOM 0 H HIS A 8 -32.421 -4.465 -17.870 1.00 0.00 H new ATOM 0 HA HIS A 8 -30.420 -6.045 -19.033 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -30.780 -3.595 -19.409 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -30.211 -3.268 -17.784 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -27.364 -3.525 -17.436 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -26.510 -3.905 -21.561 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -25.519 -3.534 -19.259 1.00 0.00 H new ATOM 115 N HIS A 9 -28.834 -6.865 -17.316 1.00 0.00 N ATOM 116 CA HIS A 9 -27.864 -7.425 -16.371 1.00 0.00 C ATOM 117 C HIS A 9 -26.475 -6.867 -16.699 1.00 0.00 C ATOM 118 O HIS A 9 -26.085 -6.833 -17.879 1.00 0.00 O ATOM 119 CB HIS A 9 -27.857 -8.969 -16.465 1.00 0.00 C ATOM 120 CG HIS A 9 -29.176 -9.610 -16.109 1.00 0.00 C ATOM 121 ND1 HIS A 9 -30.015 -10.179 -17.039 1.00 0.00 N ATOM 122 CD2 HIS A 9 -29.789 -9.776 -14.913 1.00 0.00 C ATOM 123 CE1 HIS A 9 -31.077 -10.659 -16.431 1.00 0.00 C ATOM 124 NE2 HIS A 9 -30.968 -10.432 -15.139 1.00 0.00 N ATOM 0 H HIS A 9 -28.808 -7.311 -18.233 1.00 0.00 H new ATOM 0 HA HIS A 9 -28.139 -7.146 -15.354 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -27.585 -9.260 -17.480 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -27.084 -9.360 -15.803 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -29.415 -9.449 -13.954 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -31.904 -11.158 -16.913 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -31.647 -10.700 -14.427 1.00 0.00 H new ATOM 133 N HIS A 10 -25.739 -6.426 -15.656 1.00 0.00 N ATOM 134 CA HIS A 10 -24.361 -5.922 -15.808 1.00 0.00 C ATOM 135 C HIS A 10 -23.416 -7.050 -16.258 1.00 0.00 C ATOM 136 O HIS A 10 -22.482 -6.808 -17.030 1.00 0.00 O ATOM 137 CB HIS A 10 -23.852 -5.301 -14.483 1.00 0.00 C ATOM 138 CG HIS A 10 -22.418 -4.811 -14.540 1.00 0.00 C ATOM 139 ND1 HIS A 10 -21.331 -5.635 -14.317 1.00 0.00 N ATOM 140 CD2 HIS A 10 -21.900 -3.601 -14.856 1.00 0.00 C ATOM 141 CE1 HIS A 10 -20.224 -4.952 -14.491 1.00 0.00 C ATOM 142 NE2 HIS A 10 -20.535 -3.717 -14.814 1.00 0.00 N ATOM 0 H HIS A 10 -26.081 -6.410 -14.695 1.00 0.00 H new ATOM 0 HA HIS A 10 -24.371 -5.147 -16.574 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -24.499 -4.467 -14.213 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -23.940 -6.043 -13.689 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -21.381 -6.620 -14.058 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -22.459 -2.709 -15.097 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -19.222 -5.341 -14.386 1.00 0.00 H new ATOM 151 N SER A 11 -23.691 -8.264 -15.743 1.00 0.00 N ATOM 152 CA SER A 11 -22.893 -9.490 -15.970 1.00 0.00 C ATOM 153 C SER A 11 -21.534 -9.412 -15.219 1.00 0.00 C ATOM 154 O SER A 11 -20.771 -8.457 -15.389 1.00 0.00 O ATOM 155 CB SER A 11 -22.692 -9.781 -17.483 1.00 0.00 C ATOM 156 OG SER A 11 -23.937 -9.783 -18.171 1.00 0.00 O ATOM 0 H SER A 11 -24.497 -8.426 -15.140 1.00 0.00 H new ATOM 0 HA SER A 11 -23.457 -10.328 -15.561 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.034 -9.029 -17.917 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.201 -10.746 -17.609 1.00 0.00 H new ATOM 0 HG SER A 11 -23.785 -9.967 -19.122 1.00 0.00 H new ATOM 162 N SER A 12 -21.262 -10.419 -14.379 1.00 0.00 N ATOM 163 CA SER A 12 -20.036 -10.518 -13.566 1.00 0.00 C ATOM 164 C SER A 12 -19.657 -12.001 -13.382 1.00 0.00 C ATOM 165 O SER A 12 -19.116 -12.400 -12.341 1.00 0.00 O ATOM 166 CB SER A 12 -20.267 -9.804 -12.213 1.00 0.00 C ATOM 167 OG SER A 12 -21.451 -10.266 -11.589 1.00 0.00 O ATOM 0 H SER A 12 -21.898 -11.204 -14.241 1.00 0.00 H new ATOM 0 HA SER A 12 -19.202 -10.027 -14.068 1.00 0.00 H new ATOM 0 HB2 SER A 12 -19.415 -9.978 -11.556 1.00 0.00 H new ATOM 0 HB3 SER A 12 -20.332 -8.728 -12.373 1.00 0.00 H new ATOM 0 HG SER A 12 -21.574 -9.801 -10.735 1.00 0.00 H new ATOM 173 N GLY A 13 -19.927 -12.802 -14.443 1.00 0.00 N ATOM 174 CA GLY A 13 -19.606 -14.229 -14.479 1.00 0.00 C ATOM 175 C GLY A 13 -18.112 -14.510 -14.314 1.00 0.00 C ATOM 176 O GLY A 13 -17.337 -14.358 -15.264 1.00 0.00 O ATOM 0 H GLY A 13 -20.375 -12.464 -15.295 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -20.156 -14.739 -13.688 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.947 -14.649 -15.426 1.00 0.00 H new ATOM 180 N ARG A 14 -17.725 -14.901 -13.092 1.00 0.00 N ATOM 181 CA ARG A 14 -16.330 -15.176 -12.716 1.00 0.00 C ATOM 182 C ARG A 14 -16.299 -16.461 -11.875 1.00 0.00 C ATOM 183 O ARG A 14 -17.184 -16.668 -11.027 1.00 0.00 O ATOM 184 CB ARG A 14 -15.758 -13.993 -11.895 1.00 0.00 C ATOM 185 CG ARG A 14 -14.250 -14.121 -11.572 1.00 0.00 C ATOM 186 CD ARG A 14 -13.775 -13.085 -10.546 1.00 0.00 C ATOM 187 NE ARG A 14 -14.080 -11.695 -10.955 1.00 0.00 N ATOM 188 CZ ARG A 14 -14.291 -10.672 -10.102 1.00 0.00 C ATOM 189 NH1 ARG A 14 -14.288 -10.859 -8.787 1.00 0.00 N ATOM 190 NH2 ARG A 14 -14.510 -9.456 -10.574 1.00 0.00 N ATOM 0 H ARG A 14 -18.382 -15.037 -12.324 1.00 0.00 H new ATOM 0 HA ARG A 14 -15.721 -15.300 -13.611 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -15.923 -13.068 -12.447 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.313 -13.911 -10.961 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.048 -15.122 -11.192 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -13.675 -14.007 -12.491 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -14.247 -13.289 -9.585 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -12.700 -13.189 -10.401 1.00 0.00 H new ATOM 0 HE ARG A 14 -14.134 -11.497 -11.954 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.124 -11.790 -8.405 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -14.450 -10.071 -8.159 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -14.519 -9.294 -11.581 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -14.670 -8.680 -9.931 1.00 0.00 H new ATOM 204 N GLU A 15 -15.288 -17.313 -12.113 1.00 0.00 N ATOM 205 CA GLU A 15 -15.157 -18.601 -11.422 1.00 0.00 C ATOM 206 C GLU A 15 -13.712 -19.114 -11.549 1.00 0.00 C ATOM 207 O GLU A 15 -13.321 -19.647 -12.599 1.00 0.00 O ATOM 208 CB GLU A 15 -16.176 -19.612 -12.010 1.00 0.00 C ATOM 209 CG GLU A 15 -16.286 -20.951 -11.257 1.00 0.00 C ATOM 210 CD GLU A 15 -17.399 -21.847 -11.820 1.00 0.00 C ATOM 211 OE1 GLU A 15 -17.157 -22.549 -12.822 1.00 0.00 O ATOM 212 OE2 GLU A 15 -18.529 -21.824 -11.282 1.00 0.00 O ATOM 0 H GLU A 15 -14.544 -17.128 -12.786 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.377 -18.479 -10.361 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -17.159 -19.142 -12.028 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -15.902 -19.818 -13.045 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.334 -21.478 -11.316 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.478 -20.757 -10.202 1.00 0.00 H new ATOM 219 N ASN A 16 -12.925 -18.892 -10.486 1.00 0.00 N ATOM 220 CA ASN A 16 -11.531 -19.364 -10.381 1.00 0.00 C ATOM 221 C ASN A 16 -11.098 -19.257 -8.908 1.00 0.00 C ATOM 222 O ASN A 16 -10.806 -18.158 -8.420 1.00 0.00 O ATOM 223 CB ASN A 16 -10.577 -18.532 -11.287 1.00 0.00 C ATOM 224 CG ASN A 16 -9.129 -19.043 -11.297 1.00 0.00 C ATOM 225 OD1 ASN A 16 -8.171 -18.147 -11.491 1.00 0.00 O flip ATOM 226 ND2 ASN A 16 -8.874 -20.238 -11.151 1.00 0.00 N flip ATOM 0 H ASN A 16 -13.239 -18.375 -9.665 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.474 -20.398 -10.721 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.962 -18.539 -12.307 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.584 -17.495 -10.951 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.630 -20.906 -11.003 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.907 -20.560 -11.178 1.00 0.00 H new ATOM 233 N LEU A 17 -11.112 -20.400 -8.197 1.00 0.00 N ATOM 234 CA LEU A 17 -10.842 -20.465 -6.743 1.00 0.00 C ATOM 235 C LEU A 17 -9.550 -21.264 -6.488 1.00 0.00 C ATOM 236 O LEU A 17 -9.475 -22.456 -6.810 1.00 0.00 O ATOM 237 CB LEU A 17 -12.039 -21.118 -5.974 1.00 0.00 C ATOM 238 CG LEU A 17 -13.389 -20.305 -5.927 1.00 0.00 C ATOM 239 CD1 LEU A 17 -14.124 -20.286 -7.287 1.00 0.00 C ATOM 240 CD2 LEU A 17 -14.317 -20.832 -4.807 1.00 0.00 C ATOM 0 H LEU A 17 -11.311 -21.309 -8.614 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.718 -19.448 -6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.244 -22.088 -6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.721 -21.306 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.121 -19.273 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.046 -19.712 -7.194 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.484 -19.826 -8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.361 -21.307 -7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -15.241 -20.253 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -14.548 -21.881 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.817 -20.733 -3.844 1.00 0.00 H new ATOM 252 N TYR A 18 -8.535 -20.586 -5.925 1.00 0.00 N ATOM 253 CA TYR A 18 -7.263 -21.202 -5.497 1.00 0.00 C ATOM 254 C TYR A 18 -7.010 -20.895 -4.015 1.00 0.00 C ATOM 255 O TYR A 18 -7.572 -19.944 -3.454 1.00 0.00 O ATOM 256 CB TYR A 18 -6.063 -20.687 -6.342 1.00 0.00 C ATOM 257 CG TYR A 18 -6.053 -21.147 -7.812 1.00 0.00 C ATOM 258 CD1 TYR A 18 -6.161 -22.503 -8.151 1.00 0.00 C ATOM 259 CD2 TYR A 18 -5.919 -20.231 -8.858 1.00 0.00 C ATOM 260 CE1 TYR A 18 -6.134 -22.915 -9.472 1.00 0.00 C ATOM 261 CE2 TYR A 18 -5.886 -20.644 -10.172 1.00 0.00 C ATOM 262 CZ TYR A 18 -5.996 -21.982 -10.477 1.00 0.00 C ATOM 263 OH TYR A 18 -5.957 -22.392 -11.791 1.00 0.00 O ATOM 0 H TYR A 18 -8.574 -19.582 -5.751 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.348 -22.278 -5.648 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.064 -19.597 -6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.138 -21.016 -5.868 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.267 -23.239 -7.368 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.840 -19.178 -8.632 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.221 -23.964 -9.714 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.774 -19.918 -10.963 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.857 -21.611 -12.375 1.00 0.00 H new ATOM 273 N PHE A 19 -6.142 -21.709 -3.405 1.00 0.00 N ATOM 274 CA PHE A 19 -5.696 -21.546 -2.007 1.00 0.00 C ATOM 275 C PHE A 19 -4.259 -20.986 -1.974 1.00 0.00 C ATOM 276 O PHE A 19 -3.560 -21.102 -0.955 1.00 0.00 O ATOM 277 CB PHE A 19 -5.785 -22.916 -1.276 1.00 0.00 C ATOM 278 CG PHE A 19 -7.201 -23.506 -1.246 1.00 0.00 C ATOM 279 CD1 PHE A 19 -7.694 -24.251 -2.322 1.00 0.00 C ATOM 280 CD2 PHE A 19 -8.038 -23.309 -0.146 1.00 0.00 C ATOM 281 CE1 PHE A 19 -8.976 -24.771 -2.300 1.00 0.00 C ATOM 282 CE2 PHE A 19 -9.317 -23.832 -0.126 1.00 0.00 C ATOM 283 CZ PHE A 19 -9.785 -24.566 -1.198 1.00 0.00 C ATOM 0 H PHE A 19 -5.720 -22.513 -3.871 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.343 -20.836 -1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.116 -23.624 -1.766 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.429 -22.796 -0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.065 -24.423 -3.183 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.681 -22.741 0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.344 -25.337 -3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.953 -23.666 0.731 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.782 -24.980 -1.175 1.00 0.00 H new ATOM 293 N GLN A 20 -3.845 -20.352 -3.098 1.00 0.00 N ATOM 294 CA GLN A 20 -2.500 -19.782 -3.262 1.00 0.00 C ATOM 295 C GLN A 20 -2.334 -18.526 -2.376 1.00 0.00 C ATOM 296 O GLN A 20 -2.720 -17.411 -2.759 1.00 0.00 O ATOM 297 CB GLN A 20 -2.227 -19.457 -4.757 1.00 0.00 C ATOM 298 CG GLN A 20 -0.791 -18.962 -5.048 1.00 0.00 C ATOM 299 CD GLN A 20 -0.556 -18.659 -6.529 1.00 0.00 C ATOM 300 OE1 GLN A 20 -0.754 -17.530 -6.981 1.00 0.00 O ATOM 301 NE2 GLN A 20 -0.121 -19.652 -7.289 1.00 0.00 N ATOM 0 H GLN A 20 -4.442 -20.225 -3.915 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.765 -20.519 -2.939 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.419 -20.350 -5.352 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.935 -18.697 -5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.596 -18.063 -4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.078 -19.718 -4.719 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.033 -20.575 -6.883 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.060 -19.494 -8.280 1.00 0.00 H new ATOM 310 N GLY A 21 -1.805 -18.754 -1.168 1.00 0.00 N ATOM 311 CA GLY A 21 -1.515 -17.688 -0.203 1.00 0.00 C ATOM 312 C GLY A 21 -0.390 -18.075 0.754 1.00 0.00 C ATOM 313 O GLY A 21 -0.242 -17.475 1.827 1.00 0.00 O ATOM 0 H GLY A 21 -1.565 -19.687 -0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.239 -16.779 -0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.415 -17.461 0.368 1.00 0.00 H new ATOM 317 N HIS A 22 0.407 -19.080 0.348 1.00 0.00 N ATOM 318 CA HIS A 22 1.542 -19.601 1.126 1.00 0.00 C ATOM 319 C HIS A 22 2.847 -19.224 0.418 1.00 0.00 C ATOM 320 O HIS A 22 3.013 -19.520 -0.770 1.00 0.00 O ATOM 321 CB HIS A 22 1.430 -21.143 1.282 1.00 0.00 C ATOM 322 CG HIS A 22 0.243 -21.586 2.100 1.00 0.00 C ATOM 323 ND1 HIS A 22 0.326 -21.865 3.448 1.00 0.00 N ATOM 324 CD2 HIS A 22 -1.056 -21.784 1.761 1.00 0.00 C ATOM 325 CE1 HIS A 22 -0.859 -22.216 3.898 1.00 0.00 C ATOM 326 NE2 HIS A 22 -1.717 -22.174 2.896 1.00 0.00 N ATOM 0 H HIS A 22 0.277 -19.559 -0.543 1.00 0.00 H new ATOM 0 HA HIS A 22 1.533 -19.162 2.124 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.367 -21.596 0.292 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.341 -21.519 1.747 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.488 -21.658 0.779 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.091 -22.492 4.916 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -2.711 -22.396 2.957 1.00 0.00 H new ATOM 335 N MET A 23 3.749 -18.577 1.178 1.00 0.00 N ATOM 336 CA MET A 23 5.029 -18.042 0.683 1.00 0.00 C ATOM 337 C MET A 23 4.812 -16.996 -0.447 1.00 0.00 C ATOM 338 O MET A 23 4.889 -17.335 -1.641 1.00 0.00 O ATOM 339 CB MET A 23 6.010 -19.179 0.249 1.00 0.00 C ATOM 340 CG MET A 23 6.561 -20.033 1.405 1.00 0.00 C ATOM 341 SD MET A 23 7.673 -21.358 0.844 1.00 0.00 S ATOM 342 CE MET A 23 8.964 -20.422 0.016 1.00 0.00 C ATOM 0 H MET A 23 3.605 -18.408 2.174 1.00 0.00 H new ATOM 0 HA MET A 23 5.503 -17.522 1.515 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.496 -19.834 -0.455 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.848 -18.732 -0.285 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.096 -19.388 2.102 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.728 -20.473 1.953 1.00 0.00 H new ATOM 0 HE1 MET A 23 9.852 -21.045 -0.094 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.614 -20.112 -0.969 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.210 -19.540 0.607 1.00 0.00 H new ATOM 352 N PRO A 24 4.489 -15.705 -0.081 1.00 0.00 N ATOM 353 CA PRO A 24 4.378 -14.612 -1.059 1.00 0.00 C ATOM 354 C PRO A 24 5.785 -14.157 -1.520 1.00 0.00 C ATOM 355 O PRO A 24 6.345 -13.176 -1.003 1.00 0.00 O ATOM 356 CB PRO A 24 3.598 -13.513 -0.283 1.00 0.00 C ATOM 357 CG PRO A 24 3.958 -13.737 1.156 1.00 0.00 C ATOM 358 CD PRO A 24 4.207 -15.231 1.308 1.00 0.00 C ATOM 0 HA PRO A 24 3.865 -14.886 -1.981 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.886 -12.515 -0.613 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.523 -13.603 -0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.845 -13.166 1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.153 -13.408 1.814 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.048 -15.428 1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.340 -15.737 1.732 1.00 0.00 H new ATOM 366 N ASN A 25 6.356 -14.939 -2.463 1.00 0.00 N ATOM 367 CA ASN A 25 7.717 -14.734 -3.011 1.00 0.00 C ATOM 368 C ASN A 25 7.872 -13.314 -3.585 1.00 0.00 C ATOM 369 O ASN A 25 8.862 -12.619 -3.321 1.00 0.00 O ATOM 370 CB ASN A 25 7.993 -15.803 -4.106 1.00 0.00 C ATOM 371 CG ASN A 25 9.334 -15.619 -4.835 1.00 0.00 C ATOM 372 OD1 ASN A 25 10.372 -16.123 -4.400 1.00 0.00 O ATOM 373 ND2 ASN A 25 9.317 -14.916 -5.959 1.00 0.00 N ATOM 0 H ASN A 25 5.878 -15.742 -2.871 1.00 0.00 H new ATOM 0 HA ASN A 25 8.445 -14.844 -2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.973 -16.792 -3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.186 -15.775 -4.838 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.178 -14.780 -6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.443 -14.511 -6.294 1.00 0.00 H new ATOM 380 N ASP A 26 6.860 -12.904 -4.355 1.00 0.00 N ATOM 381 CA ASP A 26 6.765 -11.559 -4.912 1.00 0.00 C ATOM 382 C ASP A 26 6.008 -10.666 -3.926 1.00 0.00 C ATOM 383 O ASP A 26 4.771 -10.708 -3.854 1.00 0.00 O ATOM 384 CB ASP A 26 6.054 -11.591 -6.289 1.00 0.00 C ATOM 385 CG ASP A 26 6.816 -12.414 -7.333 1.00 0.00 C ATOM 386 OD1 ASP A 26 6.736 -13.663 -7.299 1.00 0.00 O ATOM 387 OD2 ASP A 26 7.509 -11.822 -8.186 1.00 0.00 O ATOM 0 H ASP A 26 6.077 -13.506 -4.610 1.00 0.00 H new ATOM 0 HA ASP A 26 7.765 -11.155 -5.067 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.053 -12.006 -6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.934 -10.571 -6.654 1.00 0.00 H new ATOM 392 N MET A 27 6.779 -9.922 -3.112 1.00 0.00 N ATOM 393 CA MET A 27 6.253 -8.854 -2.243 1.00 0.00 C ATOM 394 C MET A 27 5.473 -7.831 -3.085 1.00 0.00 C ATOM 395 O MET A 27 4.414 -7.361 -2.673 1.00 0.00 O ATOM 396 CB MET A 27 7.417 -8.147 -1.489 1.00 0.00 C ATOM 397 CG MET A 27 7.008 -6.862 -0.756 1.00 0.00 C ATOM 398 SD MET A 27 8.406 -5.947 -0.096 1.00 0.00 S ATOM 399 CE MET A 27 7.608 -4.385 0.251 1.00 0.00 C ATOM 0 H MET A 27 7.789 -10.046 -3.038 1.00 0.00 H new ATOM 0 HA MET A 27 5.581 -9.298 -1.509 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.842 -8.844 -0.766 1.00 0.00 H new ATOM 0 HB3 MET A 27 8.205 -7.908 -2.203 1.00 0.00 H new ATOM 0 HG2 MET A 27 6.454 -6.221 -1.442 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.331 -7.117 0.060 1.00 0.00 H new ATOM 0 HE1 MET A 27 7.939 -4.015 1.222 1.00 0.00 H new ATOM 0 HE2 MET A 27 7.871 -3.662 -0.521 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.527 -4.524 0.265 1.00 0.00 H new ATOM 409 N GLU A 28 6.036 -7.522 -4.271 1.00 0.00 N ATOM 410 CA GLU A 28 5.456 -6.567 -5.233 1.00 0.00 C ATOM 411 C GLU A 28 4.052 -7.001 -5.682 1.00 0.00 C ATOM 412 O GLU A 28 3.168 -6.171 -5.800 1.00 0.00 O ATOM 413 CB GLU A 28 6.359 -6.363 -6.488 1.00 0.00 C ATOM 414 CG GLU A 28 7.795 -5.856 -6.213 1.00 0.00 C ATOM 415 CD GLU A 28 8.753 -6.950 -5.715 1.00 0.00 C ATOM 416 OE1 GLU A 28 9.258 -7.725 -6.553 1.00 0.00 O ATOM 417 OE2 GLU A 28 8.987 -7.053 -4.490 1.00 0.00 O ATOM 0 H GLU A 28 6.914 -7.933 -4.589 1.00 0.00 H new ATOM 0 HA GLU A 28 5.386 -5.616 -4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.425 -7.311 -7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.866 -5.656 -7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.198 -5.421 -7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.753 -5.058 -5.472 1.00 0.00 H new ATOM 424 N ASP A 29 3.880 -8.310 -5.929 1.00 0.00 N ATOM 425 CA ASP A 29 2.573 -8.899 -6.298 1.00 0.00 C ATOM 426 C ASP A 29 1.556 -8.718 -5.163 1.00 0.00 C ATOM 427 O ASP A 29 0.424 -8.318 -5.406 1.00 0.00 O ATOM 428 CB ASP A 29 2.726 -10.406 -6.646 1.00 0.00 C ATOM 429 CG ASP A 29 1.383 -11.139 -6.869 1.00 0.00 C ATOM 430 OD1 ASP A 29 0.750 -10.919 -7.922 1.00 0.00 O ATOM 431 OD2 ASP A 29 0.955 -11.926 -5.990 1.00 0.00 O ATOM 0 H ASP A 29 4.637 -8.991 -5.880 1.00 0.00 H new ATOM 0 HA ASP A 29 2.205 -8.375 -7.181 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.334 -10.501 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.269 -10.901 -5.841 1.00 0.00 H new ATOM 436 N HIS A 30 1.998 -9.000 -3.926 1.00 0.00 N ATOM 437 CA HIS A 30 1.132 -8.965 -2.736 1.00 0.00 C ATOM 438 C HIS A 30 0.743 -7.508 -2.385 1.00 0.00 C ATOM 439 O HIS A 30 -0.361 -7.258 -1.917 1.00 0.00 O ATOM 440 CB HIS A 30 1.838 -9.668 -1.538 1.00 0.00 C ATOM 441 CG HIS A 30 0.894 -10.104 -0.441 1.00 0.00 C ATOM 442 ND1 HIS A 30 0.338 -11.364 -0.399 1.00 0.00 N ATOM 443 CD2 HIS A 30 0.398 -9.450 0.638 1.00 0.00 C ATOM 444 CE1 HIS A 30 -0.445 -11.465 0.650 1.00 0.00 C ATOM 445 NE2 HIS A 30 -0.434 -10.316 1.296 1.00 0.00 N ATOM 0 H HIS A 30 2.964 -9.258 -3.723 1.00 0.00 H new ATOM 0 HA HIS A 30 0.212 -9.508 -2.954 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.377 -10.540 -1.908 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.580 -8.989 -1.117 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.619 -8.433 0.926 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -1.005 -12.343 0.936 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.958 -10.107 2.145 1.00 0.00 H new ATOM 454 N LEU A 31 1.666 -6.559 -2.642 1.00 0.00 N ATOM 455 CA LEU A 31 1.453 -5.111 -2.401 1.00 0.00 C ATOM 456 C LEU A 31 0.524 -4.558 -3.500 1.00 0.00 C ATOM 457 O LEU A 31 -0.326 -3.708 -3.241 1.00 0.00 O ATOM 458 CB LEU A 31 2.842 -4.379 -2.357 1.00 0.00 C ATOM 459 CG LEU A 31 2.913 -2.913 -1.761 1.00 0.00 C ATOM 460 CD1 LEU A 31 2.337 -1.832 -2.705 1.00 0.00 C ATOM 461 CD2 LEU A 31 2.252 -2.835 -0.369 1.00 0.00 C ATOM 0 H LEU A 31 2.587 -6.774 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 31 0.970 -4.939 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.526 -5.003 -1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.227 -4.340 -3.376 1.00 0.00 H new ATOM 0 HG LEU A 31 3.975 -2.692 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.419 -0.854 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.897 -1.830 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.289 -2.049 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.319 -1.815 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.204 -3.125 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.765 -3.510 0.316 1.00 0.00 H new ATOM 473 N LEU A 32 0.701 -5.091 -4.720 1.00 0.00 N ATOM 474 CA LEU A 32 -0.137 -4.765 -5.886 1.00 0.00 C ATOM 475 C LEU A 32 -1.574 -5.280 -5.672 1.00 0.00 C ATOM 476 O LEU A 32 -2.531 -4.673 -6.148 1.00 0.00 O ATOM 477 CB LEU A 32 0.479 -5.394 -7.166 1.00 0.00 C ATOM 478 CG LEU A 32 -0.146 -4.959 -8.529 1.00 0.00 C ATOM 479 CD1 LEU A 32 0.094 -3.455 -8.800 1.00 0.00 C ATOM 480 CD2 LEU A 32 0.386 -5.835 -9.693 1.00 0.00 C ATOM 0 H LEU A 32 1.437 -5.767 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.175 -3.682 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.542 -5.153 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.399 -6.478 -7.085 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.223 -5.113 -8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.353 -3.182 -9.756 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.362 -2.865 -8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.165 -3.257 -8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.066 -5.509 -10.630 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.469 -5.734 -9.759 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.130 -6.878 -9.510 1.00 0.00 H new ATOM 492 N THR A 33 -1.689 -6.416 -4.953 1.00 0.00 N ATOM 493 CA THR A 33 -2.978 -7.019 -4.571 1.00 0.00 C ATOM 494 C THR A 33 -3.661 -6.187 -3.471 1.00 0.00 C ATOM 495 O THR A 33 -4.876 -6.013 -3.499 1.00 0.00 O ATOM 496 CB THR A 33 -2.797 -8.514 -4.119 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.174 -9.263 -5.173 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.138 -9.192 -3.759 1.00 0.00 C ATOM 0 H THR A 33 -0.882 -6.943 -4.620 1.00 0.00 H new ATOM 0 HA THR A 33 -3.624 -7.018 -5.449 1.00 0.00 H new ATOM 0 HB THR A 33 -2.174 -8.503 -3.224 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.255 -8.947 -5.300 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.954 -10.222 -3.454 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.611 -8.650 -2.940 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.795 -9.183 -4.628 1.00 0.00 H new ATOM 506 N VAL A 34 -2.860 -5.661 -2.526 1.00 0.00 N ATOM 507 CA VAL A 34 -3.333 -4.711 -1.493 1.00 0.00 C ATOM 508 C VAL A 34 -3.990 -3.481 -2.162 1.00 0.00 C ATOM 509 O VAL A 34 -5.082 -3.062 -1.773 1.00 0.00 O ATOM 510 CB VAL A 34 -2.142 -4.278 -0.542 1.00 0.00 C ATOM 511 CG1 VAL A 34 -2.457 -3.008 0.277 1.00 0.00 C ATOM 512 CG2 VAL A 34 -1.740 -5.441 0.392 1.00 0.00 C ATOM 0 H VAL A 34 -1.866 -5.880 -2.454 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.084 -5.207 -0.878 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.300 -4.032 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.604 -2.762 0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.658 -2.178 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.332 -3.186 0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.921 -5.123 1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.594 -5.727 1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.421 -6.294 -0.206 1.00 0.00 H new ATOM 522 N LEU A 35 -3.313 -2.957 -3.192 1.00 0.00 N ATOM 523 CA LEU A 35 -3.806 -1.834 -4.007 1.00 0.00 C ATOM 524 C LEU A 35 -5.017 -2.256 -4.856 1.00 0.00 C ATOM 525 O LEU A 35 -5.932 -1.479 -5.042 1.00 0.00 O ATOM 526 CB LEU A 35 -2.668 -1.309 -4.915 1.00 0.00 C ATOM 527 CG LEU A 35 -1.441 -0.707 -4.162 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.244 -0.503 -5.113 1.00 0.00 C ATOM 529 CD2 LEU A 35 -1.825 0.609 -3.441 1.00 0.00 C ATOM 0 H LEU A 35 -2.400 -3.302 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.129 -1.036 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.321 -2.128 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.077 -0.547 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.131 -1.423 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.594 -0.082 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.049 -1.462 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.528 0.180 -5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.953 1.008 -2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.177 1.336 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.616 0.410 -2.718 1.00 0.00 H new ATOM 541 N SER A 36 -4.995 -3.496 -5.362 1.00 0.00 N ATOM 542 CA SER A 36 -6.053 -4.033 -6.251 1.00 0.00 C ATOM 543 C SER A 36 -7.384 -4.214 -5.497 1.00 0.00 C ATOM 544 O SER A 36 -8.454 -4.126 -6.096 1.00 0.00 O ATOM 545 CB SER A 36 -5.584 -5.370 -6.865 1.00 0.00 C ATOM 546 OG SER A 36 -6.515 -5.911 -7.795 1.00 0.00 O ATOM 0 H SER A 36 -4.246 -4.162 -5.171 1.00 0.00 H new ATOM 0 HA SER A 36 -6.230 -3.314 -7.051 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.627 -5.219 -7.364 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.416 -6.092 -6.066 1.00 0.00 H new ATOM 0 HG SER A 36 -6.927 -5.183 -8.306 1.00 0.00 H new ATOM 552 N VAL A 37 -7.291 -4.474 -4.183 1.00 0.00 N ATOM 553 CA VAL A 37 -8.462 -4.617 -3.298 1.00 0.00 C ATOM 554 C VAL A 37 -8.924 -3.230 -2.792 1.00 0.00 C ATOM 555 O VAL A 37 -10.122 -2.941 -2.777 1.00 0.00 O ATOM 556 CB VAL A 37 -8.144 -5.578 -2.085 1.00 0.00 C ATOM 557 CG1 VAL A 37 -9.338 -5.679 -1.109 1.00 0.00 C ATOM 558 CG2 VAL A 37 -7.736 -6.991 -2.586 1.00 0.00 C ATOM 0 H VAL A 37 -6.400 -4.592 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.272 -5.065 -3.873 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.303 -5.145 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.081 -6.349 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.568 -4.690 -0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.208 -6.070 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.522 -7.633 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.552 -7.421 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.847 -6.913 -3.212 1.00 0.00 H new ATOM 568 N ALA A 38 -7.946 -2.377 -2.400 1.00 0.00 N ATOM 569 CA ALA A 38 -8.210 -1.024 -1.850 1.00 0.00 C ATOM 570 C ALA A 38 -8.839 -0.101 -2.915 1.00 0.00 C ATOM 571 O ALA A 38 -9.797 0.621 -2.636 1.00 0.00 O ATOM 572 CB ALA A 38 -6.910 -0.401 -1.292 1.00 0.00 C ATOM 0 H ALA A 38 -6.954 -2.607 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.924 -1.128 -1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.124 0.591 -0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.515 -1.034 -0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.173 -0.320 -2.091 1.00 0.00 H new ATOM 578 N SER A 39 -8.287 -0.157 -4.137 1.00 0.00 N ATOM 579 CA SER A 39 -8.775 0.615 -5.295 1.00 0.00 C ATOM 580 C SER A 39 -9.981 -0.094 -5.935 1.00 0.00 C ATOM 581 O SER A 39 -10.839 0.552 -6.525 1.00 0.00 O ATOM 582 CB SER A 39 -7.648 0.781 -6.344 1.00 0.00 C ATOM 583 OG SER A 39 -6.451 1.254 -5.753 1.00 0.00 O ATOM 0 H SER A 39 -7.482 -0.744 -4.353 1.00 0.00 H new ATOM 0 HA SER A 39 -9.084 1.601 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.460 -0.176 -6.832 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.971 1.476 -7.119 1.00 0.00 H new ATOM 0 HG SER A 39 -5.960 0.502 -5.362 1.00 0.00 H new ATOM 589 N GLY A 40 -10.006 -1.443 -5.839 1.00 0.00 N ATOM 590 CA GLY A 40 -11.078 -2.266 -6.415 1.00 0.00 C ATOM 591 C GLY A 40 -10.832 -2.645 -7.877 1.00 0.00 C ATOM 592 O GLY A 40 -11.551 -3.486 -8.433 1.00 0.00 O ATOM 0 H GLY A 40 -9.285 -1.983 -5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.185 -3.176 -5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.021 -1.725 -6.341 1.00 0.00 H new ATOM 596 N VAL A 41 -9.827 -2.006 -8.508 1.00 0.00 N ATOM 597 CA VAL A 41 -9.478 -2.222 -9.920 1.00 0.00 C ATOM 598 C VAL A 41 -8.410 -3.341 -10.054 1.00 0.00 C ATOM 599 O VAL A 41 -7.567 -3.487 -9.166 1.00 0.00 O ATOM 600 CB VAL A 41 -8.982 -0.879 -10.578 1.00 0.00 C ATOM 601 CG1 VAL A 41 -10.079 0.209 -10.523 1.00 0.00 C ATOM 602 CG2 VAL A 41 -7.663 -0.368 -9.953 1.00 0.00 C ATOM 0 H VAL A 41 -9.231 -1.320 -8.045 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.372 -2.547 -10.453 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.773 -1.101 -11.624 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.707 1.124 -10.984 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.961 -0.137 -11.061 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.343 0.408 -9.484 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.364 0.560 -10.441 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.811 -0.186 -8.889 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.882 -1.117 -10.088 1.00 0.00 H new ATOM 612 N PRO A 42 -8.460 -4.177 -11.147 1.00 0.00 N ATOM 613 CA PRO A 42 -7.473 -5.275 -11.404 1.00 0.00 C ATOM 614 C PRO A 42 -5.984 -4.840 -11.429 1.00 0.00 C ATOM 615 O PRO A 42 -5.662 -3.642 -11.477 1.00 0.00 O ATOM 616 CB PRO A 42 -7.905 -5.825 -12.788 1.00 0.00 C ATOM 617 CG PRO A 42 -9.368 -5.514 -12.863 1.00 0.00 C ATOM 618 CD PRO A 42 -9.524 -4.168 -12.191 1.00 0.00 C ATOM 0 HA PRO A 42 -7.498 -6.001 -10.591 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.354 -5.346 -13.597 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.720 -6.896 -12.867 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.710 -5.479 -13.897 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.959 -6.277 -12.357 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.387 -3.349 -12.897 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.515 -4.050 -11.753 1.00 0.00 H new ATOM 626 N LYS A 43 -5.095 -5.861 -11.447 1.00 0.00 N ATOM 627 CA LYS A 43 -3.623 -5.690 -11.393 1.00 0.00 C ATOM 628 C LYS A 43 -3.092 -4.866 -12.578 1.00 0.00 C ATOM 629 O LYS A 43 -2.124 -4.116 -12.429 1.00 0.00 O ATOM 630 CB LYS A 43 -2.917 -7.079 -11.385 1.00 0.00 C ATOM 631 CG LYS A 43 -3.418 -8.069 -10.313 1.00 0.00 C ATOM 632 CD LYS A 43 -3.205 -7.570 -8.868 1.00 0.00 C ATOM 633 CE LYS A 43 -3.810 -8.525 -7.840 1.00 0.00 C ATOM 634 NZ LYS A 43 -5.279 -8.677 -7.994 1.00 0.00 N ATOM 0 H LYS A 43 -5.383 -6.838 -11.500 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.400 -5.150 -10.473 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.043 -7.537 -12.366 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.848 -6.924 -11.241 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.480 -8.257 -10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.903 -9.021 -10.440 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.138 -7.459 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.654 -6.583 -8.755 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.336 -9.502 -7.935 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.590 -8.160 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.660 -9.209 -7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.723 -7.737 -8.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.484 -9.191 -8.875 1.00 0.00 H new ATOM 648 N GLU A 44 -3.728 -5.035 -13.753 1.00 0.00 N ATOM 649 CA GLU A 44 -3.314 -4.364 -15.005 1.00 0.00 C ATOM 650 C GLU A 44 -3.502 -2.834 -14.918 1.00 0.00 C ATOM 651 O GLU A 44 -2.739 -2.068 -15.523 1.00 0.00 O ATOM 652 CB GLU A 44 -4.117 -4.950 -16.198 1.00 0.00 C ATOM 653 CG GLU A 44 -3.785 -4.323 -17.570 1.00 0.00 C ATOM 654 CD GLU A 44 -4.575 -4.938 -18.737 1.00 0.00 C ATOM 655 OE1 GLU A 44 -5.717 -4.508 -18.988 1.00 0.00 O ATOM 656 OE2 GLU A 44 -4.054 -5.849 -19.412 1.00 0.00 O ATOM 0 H GLU A 44 -4.542 -5.639 -13.863 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.251 -4.549 -15.160 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.933 -6.023 -16.250 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.181 -4.818 -16.002 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.988 -3.253 -17.529 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.719 -4.438 -17.764 1.00 0.00 H new ATOM 663 N GLU A 45 -4.507 -2.399 -14.146 1.00 0.00 N ATOM 664 CA GLU A 45 -4.845 -0.969 -14.007 1.00 0.00 C ATOM 665 C GLU A 45 -3.942 -0.243 -12.990 1.00 0.00 C ATOM 666 O GLU A 45 -4.059 0.978 -12.821 1.00 0.00 O ATOM 667 CB GLU A 45 -6.337 -0.806 -13.629 1.00 0.00 C ATOM 668 CG GLU A 45 -7.315 -1.346 -14.694 1.00 0.00 C ATOM 669 CD GLU A 45 -8.795 -1.008 -14.425 1.00 0.00 C ATOM 670 OE1 GLU A 45 -9.094 0.147 -14.053 1.00 0.00 O ATOM 671 OE2 GLU A 45 -9.667 -1.876 -14.625 1.00 0.00 O ATOM 0 H GLU A 45 -5.107 -3.020 -13.603 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.667 -0.500 -14.975 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.521 -1.321 -12.686 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.546 0.251 -13.461 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.033 -0.943 -15.667 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.207 -2.429 -14.754 1.00 0.00 H new ATOM 678 N ILE A 46 -3.049 -0.998 -12.311 1.00 0.00 N ATOM 679 CA ILE A 46 -2.103 -0.441 -11.319 1.00 0.00 C ATOM 680 C ILE A 46 -0.670 -0.885 -11.669 1.00 0.00 C ATOM 681 O ILE A 46 -0.432 -2.060 -11.949 1.00 0.00 O ATOM 682 CB ILE A 46 -2.456 -0.893 -9.847 1.00 0.00 C ATOM 683 CG1 ILE A 46 -3.979 -0.699 -9.557 1.00 0.00 C ATOM 684 CG2 ILE A 46 -1.594 -0.118 -8.802 1.00 0.00 C ATOM 685 CD1 ILE A 46 -4.440 -1.167 -8.191 1.00 0.00 C ATOM 0 H ILE A 46 -2.964 -2.007 -12.435 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.180 0.646 -11.358 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.223 -1.954 -9.757 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.221 0.359 -9.662 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.548 -1.233 -10.318 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.857 -0.448 -7.797 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.538 -0.315 -8.984 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.785 0.951 -8.894 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.510 -0.989 -8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.237 -2.233 -8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.904 -0.616 -7.418 1.00 0.00 H new ATOM 697 N SER A 47 0.275 0.063 -11.650 1.00 0.00 N ATOM 698 CA SER A 47 1.710 -0.208 -11.880 1.00 0.00 C ATOM 699 C SER A 47 2.546 0.551 -10.841 1.00 0.00 C ATOM 700 O SER A 47 2.016 1.414 -10.132 1.00 0.00 O ATOM 701 CB SER A 47 2.107 0.221 -13.316 1.00 0.00 C ATOM 702 OG SER A 47 3.468 -0.088 -13.601 1.00 0.00 O ATOM 0 H SER A 47 0.070 1.047 -11.474 1.00 0.00 H new ATOM 0 HA SER A 47 1.900 -1.276 -11.775 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.461 -0.280 -14.037 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.945 1.292 -13.434 1.00 0.00 H new ATOM 0 HG SER A 47 3.683 0.194 -14.514 1.00 0.00 H new ATOM 708 N ARG A 48 3.848 0.213 -10.754 1.00 0.00 N ATOM 709 CA ARG A 48 4.811 0.953 -9.917 1.00 0.00 C ATOM 710 C ARG A 48 4.953 2.383 -10.461 1.00 0.00 C ATOM 711 O ARG A 48 4.733 3.365 -9.738 1.00 0.00 O ATOM 712 CB ARG A 48 6.201 0.258 -9.899 1.00 0.00 C ATOM 713 CG ARG A 48 6.221 -1.182 -9.356 1.00 0.00 C ATOM 714 CD ARG A 48 7.645 -1.758 -9.309 1.00 0.00 C ATOM 715 NE ARG A 48 8.283 -1.751 -10.646 1.00 0.00 N ATOM 716 CZ ARG A 48 9.484 -1.220 -10.935 1.00 0.00 C ATOM 717 NH1 ARG A 48 10.200 -0.580 -10.015 1.00 0.00 N ATOM 718 NH2 ARG A 48 9.958 -1.316 -12.164 1.00 0.00 N ATOM 0 H ARG A 48 4.258 -0.574 -11.257 1.00 0.00 H new ATOM 0 HA ARG A 48 4.436 0.974 -8.894 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.595 0.249 -10.915 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.881 0.862 -9.299 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.790 -1.198 -8.355 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.594 -1.815 -9.984 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.250 -1.176 -8.614 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.613 -2.778 -8.927 1.00 0.00 H new ATOM 0 HE ARG A 48 7.768 -2.186 -11.412 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.841 -0.483 -9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 48 11.109 -0.186 -10.259 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.414 -1.790 -12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.868 -0.916 -12.392 1.00 0.00 H new ATOM 732 N ASP A 49 5.305 2.475 -11.759 1.00 0.00 N ATOM 733 CA ASP A 49 5.373 3.755 -12.474 1.00 0.00 C ATOM 734 C ASP A 49 3.937 4.268 -12.675 1.00 0.00 C ATOM 735 O ASP A 49 3.253 3.902 -13.642 1.00 0.00 O ATOM 736 CB ASP A 49 6.114 3.613 -13.834 1.00 0.00 C ATOM 737 CG ASP A 49 6.225 4.950 -14.604 1.00 0.00 C ATOM 738 OD1 ASP A 49 7.026 5.818 -14.190 1.00 0.00 O ATOM 739 OD2 ASP A 49 5.502 5.151 -15.609 1.00 0.00 O ATOM 0 H ASP A 49 5.548 1.668 -12.333 1.00 0.00 H new ATOM 0 HA ASP A 49 5.946 4.471 -11.885 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.114 3.218 -13.657 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.589 2.886 -14.453 1.00 0.00 H new ATOM 744 N SER A 50 3.488 5.036 -11.684 1.00 0.00 N ATOM 745 CA SER A 50 2.148 5.618 -11.625 1.00 0.00 C ATOM 746 C SER A 50 2.105 6.619 -10.468 1.00 0.00 C ATOM 747 O SER A 50 2.873 6.503 -9.506 1.00 0.00 O ATOM 748 CB SER A 50 1.069 4.522 -11.430 1.00 0.00 C ATOM 749 OG SER A 50 -0.245 5.068 -11.361 1.00 0.00 O ATOM 0 H SER A 50 4.063 5.278 -10.877 1.00 0.00 H new ATOM 0 HA SER A 50 1.933 6.123 -12.567 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.122 3.811 -12.254 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.278 3.967 -10.516 1.00 0.00 H new ATOM 0 HG SER A 50 -0.894 4.344 -11.239 1.00 0.00 H new ATOM 755 N ARG A 51 1.202 7.596 -10.584 1.00 0.00 N ATOM 756 CA ARG A 51 0.963 8.615 -9.552 1.00 0.00 C ATOM 757 C ARG A 51 -0.191 8.166 -8.648 1.00 0.00 C ATOM 758 O ARG A 51 -1.065 7.391 -9.077 1.00 0.00 O ATOM 759 CB ARG A 51 0.644 9.984 -10.220 1.00 0.00 C ATOM 760 CG ARG A 51 1.714 10.448 -11.238 1.00 0.00 C ATOM 761 CD ARG A 51 3.106 10.627 -10.608 1.00 0.00 C ATOM 762 NE ARG A 51 4.160 10.842 -11.615 1.00 0.00 N ATOM 763 CZ ARG A 51 5.420 11.231 -11.333 1.00 0.00 C ATOM 764 NH1 ARG A 51 5.758 11.593 -10.101 1.00 0.00 N ATOM 765 NH2 ARG A 51 6.331 11.279 -12.292 1.00 0.00 N ATOM 0 H ARG A 51 0.608 7.705 -11.406 1.00 0.00 H new ATOM 0 HA ARG A 51 1.858 8.735 -8.942 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.319 9.915 -10.726 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.543 10.742 -9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.778 9.720 -12.046 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.399 11.392 -11.683 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.085 11.475 -9.923 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.349 9.745 -10.016 1.00 0.00 H new ATOM 0 HE ARG A 51 3.920 10.686 -12.594 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.061 11.579 -9.356 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.714 11.885 -9.900 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.081 11.021 -13.247 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.283 11.574 -12.076 1.00 0.00 H new ATOM 779 N MET A 52 -0.181 8.648 -7.399 1.00 0.00 N ATOM 780 CA MET A 52 -1.250 8.370 -6.435 1.00 0.00 C ATOM 781 C MET A 52 -2.502 9.183 -6.815 1.00 0.00 C ATOM 782 O MET A 52 -2.589 10.387 -6.544 1.00 0.00 O ATOM 783 CB MET A 52 -0.777 8.686 -4.989 1.00 0.00 C ATOM 784 CG MET A 52 0.224 7.673 -4.434 1.00 0.00 C ATOM 785 SD MET A 52 -0.448 5.995 -4.431 1.00 0.00 S ATOM 786 CE MET A 52 0.859 5.086 -3.613 1.00 0.00 C ATOM 0 H MET A 52 0.565 9.239 -7.031 1.00 0.00 H new ATOM 0 HA MET A 52 -1.504 7.310 -6.465 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.324 9.677 -4.973 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.646 8.722 -4.332 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.135 7.698 -5.031 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.501 7.955 -3.418 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.831 4.044 -3.930 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.824 5.520 -3.877 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.720 5.141 -2.533 1.00 0.00 H new ATOM 796 N GLU A 53 -3.425 8.517 -7.525 1.00 0.00 N ATOM 797 CA GLU A 53 -4.732 9.074 -7.922 1.00 0.00 C ATOM 798 C GLU A 53 -5.838 8.373 -7.093 1.00 0.00 C ATOM 799 O GLU A 53 -5.780 8.411 -5.858 1.00 0.00 O ATOM 800 CB GLU A 53 -4.908 8.896 -9.458 1.00 0.00 C ATOM 801 CG GLU A 53 -3.818 9.587 -10.313 1.00 0.00 C ATOM 802 CD GLU A 53 -4.061 9.449 -11.821 1.00 0.00 C ATOM 803 OE1 GLU A 53 -4.941 10.166 -12.351 1.00 0.00 O ATOM 804 OE2 GLU A 53 -3.397 8.617 -12.480 1.00 0.00 O ATOM 0 H GLU A 53 -3.284 7.559 -7.846 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.799 10.142 -7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.913 7.831 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.883 9.289 -9.747 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.776 10.645 -10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.846 9.160 -10.067 1.00 0.00 H new ATOM 811 N ASP A 54 -6.825 7.708 -7.741 1.00 0.00 N ATOM 812 CA ASP A 54 -7.862 6.916 -7.043 1.00 0.00 C ATOM 813 C ASP A 54 -7.318 5.481 -6.774 1.00 0.00 C ATOM 814 O ASP A 54 -7.908 4.461 -7.150 1.00 0.00 O ATOM 815 CB ASP A 54 -9.167 6.929 -7.897 1.00 0.00 C ATOM 816 CG ASP A 54 -10.367 6.220 -7.243 1.00 0.00 C ATOM 817 OD1 ASP A 54 -10.731 6.560 -6.094 1.00 0.00 O ATOM 818 OD2 ASP A 54 -10.958 5.326 -7.880 1.00 0.00 O ATOM 0 H ASP A 54 -6.923 7.706 -8.756 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.106 7.349 -6.073 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.441 7.964 -8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.962 6.457 -8.858 1.00 0.00 H new ATOM 823 N LEU A 55 -6.149 5.442 -6.113 1.00 0.00 N ATOM 824 CA LEU A 55 -5.410 4.210 -5.803 1.00 0.00 C ATOM 825 C LEU A 55 -5.083 4.164 -4.306 1.00 0.00 C ATOM 826 O LEU A 55 -5.264 3.129 -3.648 1.00 0.00 O ATOM 827 CB LEU A 55 -4.087 4.133 -6.630 1.00 0.00 C ATOM 828 CG LEU A 55 -4.237 4.117 -8.187 1.00 0.00 C ATOM 829 CD1 LEU A 55 -2.855 4.203 -8.889 1.00 0.00 C ATOM 830 CD2 LEU A 55 -5.024 2.869 -8.656 1.00 0.00 C ATOM 0 H LEU A 55 -5.683 6.283 -5.773 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.036 3.358 -6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.463 4.984 -6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.549 3.234 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.807 5.001 -8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.995 4.190 -9.970 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.356 5.128 -8.599 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.242 3.352 -8.592 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.114 2.883 -9.742 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.495 1.968 -8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.018 2.877 -8.210 1.00 0.00 H new ATOM 842 N ALA A 56 -4.582 5.309 -3.794 1.00 0.00 N ATOM 843 CA ALA A 56 -4.143 5.453 -2.389 1.00 0.00 C ATOM 844 C ALA A 56 -4.005 6.937 -1.991 1.00 0.00 C ATOM 845 O ALA A 56 -3.317 7.258 -1.017 1.00 0.00 O ATOM 846 CB ALA A 56 -2.817 4.696 -2.172 1.00 0.00 C ATOM 0 H ALA A 56 -4.470 6.161 -4.344 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.906 5.016 -1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.500 4.807 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.960 3.639 -2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.052 5.106 -2.831 1.00 0.00 H new ATOM 852 N PHE A 57 -4.693 7.839 -2.729 1.00 0.00 N ATOM 853 CA PHE A 57 -4.635 9.301 -2.475 1.00 0.00 C ATOM 854 C PHE A 57 -6.053 9.848 -2.212 1.00 0.00 C ATOM 855 O PHE A 57 -6.694 10.466 -3.084 1.00 0.00 O ATOM 856 CB PHE A 57 -3.944 10.029 -3.658 1.00 0.00 C ATOM 857 CG PHE A 57 -3.607 11.505 -3.408 1.00 0.00 C ATOM 858 CD1 PHE A 57 -2.624 11.861 -2.485 1.00 0.00 C ATOM 859 CD2 PHE A 57 -4.273 12.528 -4.087 1.00 0.00 C ATOM 860 CE1 PHE A 57 -2.317 13.191 -2.250 1.00 0.00 C ATOM 861 CE2 PHE A 57 -3.966 13.853 -3.850 1.00 0.00 C ATOM 862 CZ PHE A 57 -2.990 14.185 -2.931 1.00 0.00 C ATOM 0 H PHE A 57 -5.298 7.580 -3.509 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.036 9.489 -1.584 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.024 9.499 -3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.591 9.964 -4.532 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.095 11.089 -1.946 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -5.038 12.279 -4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.551 13.450 -1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.490 14.632 -4.384 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.753 15.222 -2.745 1.00 0.00 H new ATOM 872 N ASP A 58 -6.521 9.554 -0.993 1.00 0.00 N ATOM 873 CA ASP A 58 -7.834 9.955 -0.458 1.00 0.00 C ATOM 874 C ASP A 58 -7.936 9.389 0.957 1.00 0.00 C ATOM 875 O ASP A 58 -7.605 8.226 1.141 1.00 0.00 O ATOM 876 CB ASP A 58 -9.004 9.428 -1.343 1.00 0.00 C ATOM 877 CG ASP A 58 -10.397 9.674 -0.729 1.00 0.00 C ATOM 878 OD1 ASP A 58 -10.928 10.795 -0.857 1.00 0.00 O ATOM 879 OD2 ASP A 58 -10.945 8.757 -0.082 1.00 0.00 O ATOM 0 H ASP A 58 -5.977 9.009 -0.324 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.916 11.042 -0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.956 9.909 -2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.872 8.359 -1.508 1.00 0.00 H new ATOM 884 N SER A 59 -8.420 10.196 1.921 1.00 0.00 N ATOM 885 CA SER A 59 -8.441 9.843 3.363 1.00 0.00 C ATOM 886 C SER A 59 -9.096 8.467 3.643 1.00 0.00 C ATOM 887 O SER A 59 -8.601 7.708 4.481 1.00 0.00 O ATOM 888 CB SER A 59 -9.156 10.961 4.154 1.00 0.00 C ATOM 889 OG SER A 59 -10.451 11.211 3.635 1.00 0.00 O ATOM 0 H SER A 59 -8.811 11.118 1.725 1.00 0.00 H new ATOM 0 HA SER A 59 -7.406 9.756 3.694 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.231 10.676 5.203 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.563 11.875 4.113 1.00 0.00 H new ATOM 0 HG SER A 59 -10.881 11.921 4.156 1.00 0.00 H new ATOM 895 N LEU A 60 -10.187 8.149 2.913 1.00 0.00 N ATOM 896 CA LEU A 60 -10.885 6.850 3.040 1.00 0.00 C ATOM 897 C LEU A 60 -10.001 5.703 2.511 1.00 0.00 C ATOM 898 O LEU A 60 -9.838 4.676 3.179 1.00 0.00 O ATOM 899 CB LEU A 60 -12.230 6.875 2.269 1.00 0.00 C ATOM 900 CG LEU A 60 -13.092 5.574 2.354 1.00 0.00 C ATOM 901 CD1 LEU A 60 -13.587 5.315 3.797 1.00 0.00 C ATOM 902 CD2 LEU A 60 -14.266 5.620 1.354 1.00 0.00 C ATOM 0 H LEU A 60 -10.605 8.777 2.227 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.088 6.679 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.826 7.707 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.021 7.081 1.219 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.453 4.736 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.183 4.403 3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.730 5.205 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.197 6.155 4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.849 4.702 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.903 6.475 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.877 5.715 0.340 1.00 0.00 H new ATOM 914 N VAL A 61 -9.430 5.913 1.307 1.00 0.00 N ATOM 915 CA VAL A 61 -8.605 4.901 0.610 1.00 0.00 C ATOM 916 C VAL A 61 -7.270 4.666 1.359 1.00 0.00 C ATOM 917 O VAL A 61 -6.713 3.572 1.300 1.00 0.00 O ATOM 918 CB VAL A 61 -8.319 5.297 -0.896 1.00 0.00 C ATOM 919 CG1 VAL A 61 -7.653 4.132 -1.670 1.00 0.00 C ATOM 920 CG2 VAL A 61 -9.613 5.751 -1.614 1.00 0.00 C ATOM 0 H VAL A 61 -9.527 6.787 0.790 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.180 3.975 0.606 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.624 6.137 -0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.470 4.437 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.707 3.874 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.313 3.264 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.383 6.016 -2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.340 4.939 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.029 6.618 -1.101 1.00 0.00 H new ATOM 930 N VAL A 62 -6.787 5.701 2.076 1.00 0.00 N ATOM 931 CA VAL A 62 -5.552 5.631 2.896 1.00 0.00 C ATOM 932 C VAL A 62 -5.824 4.831 4.185 1.00 0.00 C ATOM 933 O VAL A 62 -4.970 4.065 4.632 1.00 0.00 O ATOM 934 CB VAL A 62 -4.994 7.076 3.247 1.00 0.00 C ATOM 935 CG1 VAL A 62 -3.822 7.022 4.261 1.00 0.00 C ATOM 936 CG2 VAL A 62 -4.558 7.832 1.964 1.00 0.00 C ATOM 0 H VAL A 62 -7.241 6.614 2.105 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.788 5.122 2.309 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.812 7.622 3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.474 8.034 4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.163 6.557 5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.004 6.437 3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.180 8.818 2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.774 7.269 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.414 7.941 1.297 1.00 0.00 H new ATOM 946 N SER A 63 -7.022 5.018 4.767 1.00 0.00 N ATOM 947 CA SER A 63 -7.466 4.257 5.952 1.00 0.00 C ATOM 948 C SER A 63 -7.695 2.777 5.589 1.00 0.00 C ATOM 949 O SER A 63 -7.429 1.881 6.398 1.00 0.00 O ATOM 950 CB SER A 63 -8.756 4.881 6.531 1.00 0.00 C ATOM 951 OG SER A 63 -8.538 6.224 6.935 1.00 0.00 O ATOM 0 H SER A 63 -7.707 5.696 4.433 1.00 0.00 H new ATOM 0 HA SER A 63 -6.685 4.304 6.711 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.548 4.847 5.782 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.098 4.293 7.383 1.00 0.00 H new ATOM 0 HG SER A 63 -8.542 6.807 6.148 1.00 0.00 H new ATOM 957 N GLU A 64 -8.187 2.542 4.356 1.00 0.00 N ATOM 958 CA GLU A 64 -8.406 1.190 3.815 1.00 0.00 C ATOM 959 C GLU A 64 -7.051 0.516 3.521 1.00 0.00 C ATOM 960 O GLU A 64 -6.856 -0.659 3.837 1.00 0.00 O ATOM 961 CB GLU A 64 -9.279 1.256 2.524 1.00 0.00 C ATOM 962 CG GLU A 64 -9.719 -0.119 1.971 1.00 0.00 C ATOM 963 CD GLU A 64 -10.613 -0.909 2.956 1.00 0.00 C ATOM 964 OE1 GLU A 64 -11.836 -0.646 3.001 1.00 0.00 O ATOM 965 OE2 GLU A 64 -10.101 -1.775 3.700 1.00 0.00 O ATOM 0 H GLU A 64 -8.443 3.287 3.708 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.939 0.594 4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.169 1.850 2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.720 1.782 1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.260 0.028 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.834 -0.711 1.738 1.00 0.00 H new ATOM 972 N LEU A 65 -6.128 1.298 2.929 1.00 0.00 N ATOM 973 CA LEU A 65 -4.767 0.852 2.568 1.00 0.00 C ATOM 974 C LEU A 65 -3.994 0.426 3.817 1.00 0.00 C ATOM 975 O LEU A 65 -3.384 -0.641 3.840 1.00 0.00 O ATOM 976 CB LEU A 65 -4.001 1.998 1.848 1.00 0.00 C ATOM 977 CG LEU A 65 -2.534 1.685 1.398 1.00 0.00 C ATOM 978 CD1 LEU A 65 -2.497 0.602 0.297 1.00 0.00 C ATOM 979 CD2 LEU A 65 -1.806 2.970 0.946 1.00 0.00 C ATOM 0 H LEU A 65 -6.309 2.272 2.684 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.853 -0.002 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.573 2.289 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.977 2.862 2.512 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.003 1.287 2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.463 0.411 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.944 -0.317 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.057 0.947 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.790 2.723 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.341 3.415 0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.773 3.680 1.773 1.00 0.00 H new ATOM 991 N SER A 66 -4.039 1.293 4.845 1.00 0.00 N ATOM 992 CA SER A 66 -3.416 1.054 6.151 1.00 0.00 C ATOM 993 C SER A 66 -3.978 -0.233 6.760 1.00 0.00 C ATOM 994 O SER A 66 -3.213 -1.093 7.182 1.00 0.00 O ATOM 995 CB SER A 66 -3.665 2.256 7.100 1.00 0.00 C ATOM 996 OG SER A 66 -2.995 2.098 8.346 1.00 0.00 O ATOM 0 H SER A 66 -4.518 2.192 4.786 1.00 0.00 H new ATOM 0 HA SER A 66 -2.340 0.945 6.017 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.326 3.174 6.620 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.735 2.364 7.275 1.00 0.00 H new ATOM 0 HG SER A 66 -3.175 2.875 8.915 1.00 0.00 H new ATOM 1002 N LEU A 67 -5.328 -0.360 6.734 1.00 0.00 N ATOM 1003 CA LEU A 67 -6.062 -1.525 7.270 1.00 0.00 C ATOM 1004 C LEU A 67 -5.527 -2.843 6.676 1.00 0.00 C ATOM 1005 O LEU A 67 -5.378 -3.843 7.393 1.00 0.00 O ATOM 1006 CB LEU A 67 -7.582 -1.381 6.972 1.00 0.00 C ATOM 1007 CG LEU A 67 -8.510 -2.475 7.590 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -8.476 -2.431 9.133 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -9.955 -2.355 7.061 1.00 0.00 C ATOM 0 H LEU A 67 -5.940 0.352 6.336 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.909 -1.555 8.349 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.912 -0.407 7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.721 -1.383 5.891 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.125 -3.445 7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.132 -3.204 9.534 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.457 -2.604 9.480 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.815 -1.454 9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.573 -3.131 7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.357 -1.375 7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.957 -2.473 5.977 1.00 0.00 H new ATOM 1021 N LYS A 68 -5.229 -2.813 5.360 1.00 0.00 N ATOM 1022 CA LYS A 68 -4.644 -3.959 4.652 1.00 0.00 C ATOM 1023 C LYS A 68 -3.237 -4.230 5.190 1.00 0.00 C ATOM 1024 O LYS A 68 -2.964 -5.322 5.663 1.00 0.00 O ATOM 1025 CB LYS A 68 -4.568 -3.725 3.116 1.00 0.00 C ATOM 1026 CG LYS A 68 -5.878 -3.317 2.420 1.00 0.00 C ATOM 1027 CD LYS A 68 -7.057 -4.251 2.744 1.00 0.00 C ATOM 1028 CE LYS A 68 -8.311 -3.881 1.949 1.00 0.00 C ATOM 1029 NZ LYS A 68 -9.481 -4.700 2.354 1.00 0.00 N ATOM 0 H LYS A 68 -5.388 -1.998 4.767 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.293 -4.817 4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.824 -2.951 2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.204 -4.640 2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.137 -2.300 2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.719 -3.304 1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.777 -5.281 2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.276 -4.203 3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.537 -2.825 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.121 -4.020 0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.311 -4.420 1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.275 -5.706 2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.678 -4.548 3.364 1.00 0.00 H new ATOM 1043 N LEU A 69 -2.381 -3.187 5.156 1.00 0.00 N ATOM 1044 CA LEU A 69 -0.938 -3.284 5.490 1.00 0.00 C ATOM 1045 C LEU A 69 -0.694 -3.847 6.905 1.00 0.00 C ATOM 1046 O LEU A 69 0.302 -4.534 7.118 1.00 0.00 O ATOM 1047 CB LEU A 69 -0.250 -1.897 5.343 1.00 0.00 C ATOM 1048 CG LEU A 69 -0.233 -1.275 3.907 1.00 0.00 C ATOM 1049 CD1 LEU A 69 0.427 0.126 3.902 1.00 0.00 C ATOM 1050 CD2 LEU A 69 0.448 -2.219 2.887 1.00 0.00 C ATOM 0 H LEU A 69 -2.671 -2.245 4.894 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.498 -3.986 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.749 -1.196 6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.780 -1.989 5.687 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.271 -1.150 3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.421 0.527 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.130 0.793 4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.455 0.045 4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.442 -1.755 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.477 -2.405 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.095 -3.163 2.847 1.00 0.00 H new ATOM 1062 N ARG A 70 -1.623 -3.557 7.848 1.00 0.00 N ATOM 1063 CA ARG A 70 -1.547 -4.042 9.250 1.00 0.00 C ATOM 1064 C ARG A 70 -1.538 -5.581 9.303 1.00 0.00 C ATOM 1065 O ARG A 70 -0.877 -6.185 10.149 1.00 0.00 O ATOM 1066 CB ARG A 70 -2.744 -3.527 10.106 1.00 0.00 C ATOM 1067 CG ARG A 70 -2.974 -2.002 10.098 1.00 0.00 C ATOM 1068 CD ARG A 70 -4.007 -1.536 11.142 1.00 0.00 C ATOM 1069 NE ARG A 70 -5.232 -2.360 11.163 1.00 0.00 N ATOM 1070 CZ ARG A 70 -6.241 -2.201 12.035 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -6.294 -1.149 12.852 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -7.214 -3.093 12.080 1.00 0.00 N ATOM 0 H ARG A 70 -2.444 -2.982 7.660 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.617 -3.650 9.662 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.653 -4.013 9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.592 -3.846 11.137 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.026 -1.498 10.285 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.307 -1.697 9.106 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.548 -1.556 12.130 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.278 -0.500 10.937 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.318 -3.101 10.467 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.558 -0.443 12.823 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.070 -1.050 13.506 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.197 -3.898 11.454 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.982 -2.977 12.741 1.00 0.00 H new ATOM 1086 N LYS A 71 -2.314 -6.191 8.397 1.00 0.00 N ATOM 1087 CA LYS A 71 -2.507 -7.648 8.331 1.00 0.00 C ATOM 1088 C LYS A 71 -1.519 -8.298 7.342 1.00 0.00 C ATOM 1089 O LYS A 71 -0.843 -9.273 7.677 1.00 0.00 O ATOM 1090 CB LYS A 71 -3.974 -7.946 7.909 1.00 0.00 C ATOM 1091 CG LYS A 71 -4.368 -9.448 7.932 1.00 0.00 C ATOM 1092 CD LYS A 71 -4.304 -10.071 9.357 1.00 0.00 C ATOM 1093 CE LYS A 71 -5.307 -9.432 10.346 1.00 0.00 C ATOM 1094 NZ LYS A 71 -6.716 -9.602 9.908 1.00 0.00 N ATOM 0 H LYS A 71 -2.832 -5.682 7.681 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.313 -8.075 9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.645 -7.399 8.571 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.133 -7.559 6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.378 -9.559 7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.704 -10.002 7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.503 -11.141 9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.294 -9.959 9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.178 -9.881 11.331 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.086 -8.369 10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.355 -9.249 10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.874 -9.066 9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.907 -10.610 9.737 1.00 0.00 H new ATOM 1108 N GLU A 72 -1.440 -7.726 6.130 1.00 0.00 N ATOM 1109 CA GLU A 72 -0.724 -8.322 4.988 1.00 0.00 C ATOM 1110 C GLU A 72 0.801 -8.266 5.177 1.00 0.00 C ATOM 1111 O GLU A 72 1.508 -9.222 4.845 1.00 0.00 O ATOM 1112 CB GLU A 72 -1.121 -7.598 3.667 1.00 0.00 C ATOM 1113 CG GLU A 72 -2.637 -7.543 3.382 1.00 0.00 C ATOM 1114 CD GLU A 72 -3.302 -8.926 3.323 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -3.175 -9.606 2.283 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -3.952 -9.338 4.308 1.00 0.00 O ATOM 0 H GLU A 72 -1.875 -6.829 5.912 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.015 -9.371 4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.736 -6.579 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.628 -8.099 2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.122 -6.948 4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.802 -7.029 2.435 1.00 0.00 H new ATOM 1123 N PHE A 73 1.301 -7.134 5.704 1.00 0.00 N ATOM 1124 CA PHE A 73 2.755 -6.887 5.863 1.00 0.00 C ATOM 1125 C PHE A 73 3.122 -6.525 7.318 1.00 0.00 C ATOM 1126 O PHE A 73 4.305 -6.381 7.633 1.00 0.00 O ATOM 1127 CB PHE A 73 3.206 -5.751 4.902 1.00 0.00 C ATOM 1128 CG PHE A 73 3.076 -6.097 3.416 1.00 0.00 C ATOM 1129 CD1 PHE A 73 4.062 -6.848 2.772 1.00 0.00 C ATOM 1130 CD2 PHE A 73 1.970 -5.688 2.668 1.00 0.00 C ATOM 1131 CE1 PHE A 73 3.949 -7.170 1.435 1.00 0.00 C ATOM 1132 CE2 PHE A 73 1.860 -6.014 1.331 1.00 0.00 C ATOM 1133 CZ PHE A 73 2.851 -6.754 0.714 1.00 0.00 C ATOM 0 H PHE A 73 0.716 -6.365 6.032 1.00 0.00 H new ATOM 0 HA PHE A 73 3.278 -7.810 5.612 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.614 -4.859 5.109 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.245 -5.501 5.116 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.925 -7.182 3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.191 -5.109 3.141 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.723 -7.749 0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.998 -5.690 0.766 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.765 -7.006 -0.333 1.00 0.00 H new ATOM 1143 N GLY A 74 2.104 -6.358 8.189 1.00 0.00 N ATOM 1144 CA GLY A 74 2.318 -5.947 9.587 1.00 0.00 C ATOM 1145 C GLY A 74 2.647 -4.456 9.746 1.00 0.00 C ATOM 1146 O GLY A 74 2.896 -3.984 10.862 1.00 0.00 O ATOM 0 H GLY A 74 1.124 -6.503 7.944 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.423 -6.177 10.165 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.131 -6.537 10.010 1.00 0.00 H new ATOM 1150 N VAL A 75 2.623 -3.717 8.623 1.00 0.00 N ATOM 1151 CA VAL A 75 2.986 -2.292 8.568 1.00 0.00 C ATOM 1152 C VAL A 75 1.817 -1.435 9.111 1.00 0.00 C ATOM 1153 O VAL A 75 0.826 -1.185 8.413 1.00 0.00 O ATOM 1154 CB VAL A 75 3.377 -1.894 7.085 1.00 0.00 C ATOM 1155 CG1 VAL A 75 3.752 -0.406 6.953 1.00 0.00 C ATOM 1156 CG2 VAL A 75 4.533 -2.785 6.576 1.00 0.00 C ATOM 0 H VAL A 75 2.348 -4.098 7.718 1.00 0.00 H new ATOM 0 HA VAL A 75 3.855 -2.104 9.198 1.00 0.00 H new ATOM 0 HB VAL A 75 2.494 -2.058 6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.011 -0.187 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.905 0.211 7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.605 -0.188 7.595 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.790 -2.500 5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.403 -2.655 7.220 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.222 -3.830 6.593 1.00 0.00 H new ATOM 1166 N THR A 76 1.936 -1.032 10.393 1.00 0.00 N ATOM 1167 CA THR A 76 0.863 -0.354 11.148 1.00 0.00 C ATOM 1168 C THR A 76 1.366 1.004 11.685 1.00 0.00 C ATOM 1169 O THR A 76 2.565 1.162 11.949 1.00 0.00 O ATOM 1170 CB THR A 76 0.398 -1.259 12.343 1.00 0.00 C ATOM 1171 OG1 THR A 76 0.096 -2.577 11.854 1.00 0.00 O ATOM 1172 CG2 THR A 76 -0.839 -0.684 13.071 1.00 0.00 C ATOM 0 H THR A 76 2.787 -1.170 10.938 1.00 0.00 H new ATOM 0 HA THR A 76 0.019 -0.179 10.481 1.00 0.00 H new ATOM 0 HB THR A 76 1.214 -1.295 13.064 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.927 -3.029 11.597 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.121 -1.347 13.889 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.601 0.302 13.469 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.669 -0.602 12.369 1.00 0.00 H new ATOM 1180 N GLY A 77 0.438 1.981 11.817 1.00 0.00 N ATOM 1181 CA GLY A 77 0.739 3.294 12.409 1.00 0.00 C ATOM 1182 C GLY A 77 1.541 4.211 11.496 1.00 0.00 C ATOM 1183 O GLY A 77 2.068 5.230 11.946 1.00 0.00 O ATOM 0 H GLY A 77 -0.531 1.877 11.517 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.197 3.787 12.672 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.292 3.146 13.336 1.00 0.00 H new ATOM 1187 N VAL A 78 1.596 3.863 10.205 1.00 0.00 N ATOM 1188 CA VAL A 78 2.426 4.552 9.194 1.00 0.00 C ATOM 1189 C VAL A 78 1.652 5.681 8.472 1.00 0.00 C ATOM 1190 O VAL A 78 1.846 5.909 7.276 1.00 0.00 O ATOM 1191 CB VAL A 78 2.985 3.510 8.151 1.00 0.00 C ATOM 1192 CG1 VAL A 78 4.038 2.598 8.805 1.00 0.00 C ATOM 1193 CG2 VAL A 78 1.839 2.686 7.499 1.00 0.00 C ATOM 0 H VAL A 78 1.060 3.085 9.822 1.00 0.00 H new ATOM 0 HA VAL A 78 3.259 5.020 9.718 1.00 0.00 H new ATOM 0 HB VAL A 78 3.474 4.064 7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.411 1.886 8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.865 3.204 9.175 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.585 2.057 9.636 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.260 1.978 6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.296 2.142 8.272 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.156 3.359 6.981 1.00 0.00 H new ATOM 1203 N ASP A 79 0.846 6.429 9.242 1.00 0.00 N ATOM 1204 CA ASP A 79 0.005 7.541 8.733 1.00 0.00 C ATOM 1205 C ASP A 79 0.835 8.581 7.954 1.00 0.00 C ATOM 1206 O ASP A 79 0.441 8.997 6.863 1.00 0.00 O ATOM 1207 CB ASP A 79 -0.712 8.220 9.923 1.00 0.00 C ATOM 1208 CG ASP A 79 -1.499 9.486 9.539 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -2.533 9.365 8.852 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -1.107 10.600 9.952 1.00 0.00 O ATOM 0 H ASP A 79 0.754 6.283 10.247 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.727 7.125 8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.396 7.504 10.379 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.028 8.480 10.680 1.00 0.00 H new ATOM 1215 N ASP A 80 1.988 8.959 8.535 1.00 0.00 N ATOM 1216 CA ASP A 80 2.909 9.964 7.953 1.00 0.00 C ATOM 1217 C ASP A 80 3.513 9.459 6.643 1.00 0.00 C ATOM 1218 O ASP A 80 3.655 10.214 5.689 1.00 0.00 O ATOM 1219 CB ASP A 80 4.027 10.320 8.963 1.00 0.00 C ATOM 1220 CG ASP A 80 3.450 10.910 10.258 1.00 0.00 C ATOM 1221 OD1 ASP A 80 3.144 10.142 11.196 1.00 0.00 O ATOM 1222 OD2 ASP A 80 3.263 12.139 10.334 1.00 0.00 O ATOM 0 H ASP A 80 2.312 8.578 9.424 1.00 0.00 H new ATOM 0 HA ASP A 80 2.335 10.865 7.736 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.606 9.426 9.196 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.713 11.036 8.510 1.00 0.00 H new ATOM 1227 N GLU A 81 3.825 8.159 6.618 1.00 0.00 N ATOM 1228 CA GLU A 81 4.408 7.467 5.452 1.00 0.00 C ATOM 1229 C GLU A 81 3.408 7.432 4.273 1.00 0.00 C ATOM 1230 O GLU A 81 3.781 7.652 3.117 1.00 0.00 O ATOM 1231 CB GLU A 81 4.842 6.023 5.858 1.00 0.00 C ATOM 1232 CG GLU A 81 6.115 5.917 6.739 1.00 0.00 C ATOM 1233 CD GLU A 81 6.077 6.787 8.005 1.00 0.00 C ATOM 1234 OE1 GLU A 81 5.186 6.566 8.851 1.00 0.00 O ATOM 1235 OE2 GLU A 81 6.907 7.711 8.143 1.00 0.00 O ATOM 0 H GLU A 81 3.679 7.543 7.418 1.00 0.00 H new ATOM 0 HA GLU A 81 5.288 8.018 5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.015 5.553 6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.005 5.445 4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.256 4.876 7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.982 6.201 6.142 1.00 0.00 H new ATOM 1242 N LEU A 82 2.132 7.192 4.606 1.00 0.00 N ATOM 1243 CA LEU A 82 1.027 7.137 3.630 1.00 0.00 C ATOM 1244 C LEU A 82 0.627 8.555 3.176 1.00 0.00 C ATOM 1245 O LEU A 82 0.096 8.747 2.077 1.00 0.00 O ATOM 1246 CB LEU A 82 -0.175 6.385 4.249 1.00 0.00 C ATOM 1247 CG LEU A 82 0.108 4.923 4.734 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -1.152 4.299 5.374 1.00 0.00 C ATOM 1249 CD2 LEU A 82 0.669 4.039 3.593 1.00 0.00 C ATOM 0 H LEU A 82 1.832 7.029 5.567 1.00 0.00 H new ATOM 0 HA LEU A 82 1.359 6.594 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.543 6.963 5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.978 6.354 3.512 1.00 0.00 H new ATOM 0 HG LEU A 82 0.879 4.973 5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.929 3.284 5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.460 4.898 6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.958 4.274 4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.852 3.033 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.053 3.996 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.603 4.466 3.228 1.00 0.00 H new ATOM 1261 N ASP A 83 0.907 9.534 4.048 1.00 0.00 N ATOM 1262 CA ASP A 83 0.730 10.972 3.762 1.00 0.00 C ATOM 1263 C ASP A 83 1.819 11.465 2.786 1.00 0.00 C ATOM 1264 O ASP A 83 1.594 12.402 2.020 1.00 0.00 O ATOM 1265 CB ASP A 83 0.779 11.770 5.095 1.00 0.00 C ATOM 1266 CG ASP A 83 0.708 13.305 4.940 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -0.349 13.821 4.522 1.00 0.00 O ATOM 1268 OD2 ASP A 83 1.700 14.002 5.253 1.00 0.00 O ATOM 0 H ASP A 83 1.267 9.351 4.984 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.239 11.131 3.289 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.048 11.445 5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.700 11.515 5.620 1.00 0.00 H new ATOM 1273 N LEU A 84 2.990 10.803 2.828 1.00 0.00 N ATOM 1274 CA LEU A 84 4.165 11.130 1.987 1.00 0.00 C ATOM 1275 C LEU A 84 4.172 10.345 0.657 1.00 0.00 C ATOM 1276 O LEU A 84 5.174 10.370 -0.059 1.00 0.00 O ATOM 1277 CB LEU A 84 5.466 10.851 2.796 1.00 0.00 C ATOM 1278 CG LEU A 84 5.759 11.846 3.962 1.00 0.00 C ATOM 1279 CD1 LEU A 84 6.886 11.329 4.882 1.00 0.00 C ATOM 1280 CD2 LEU A 84 6.078 13.260 3.419 1.00 0.00 C ATOM 0 H LEU A 84 3.153 10.015 3.454 1.00 0.00 H new ATOM 0 HA LEU A 84 4.110 12.186 1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.408 9.843 3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.311 10.866 2.108 1.00 0.00 H new ATOM 0 HG LEU A 84 4.856 11.917 4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.062 12.048 5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.593 10.372 5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.800 11.202 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.278 13.933 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.954 13.212 2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.226 13.632 2.849 1.00 0.00 H new ATOM 1292 N LEU A 85 3.060 9.656 0.331 1.00 0.00 N ATOM 1293 CA LEU A 85 2.934 8.907 -0.940 1.00 0.00 C ATOM 1294 C LEU A 85 2.598 9.857 -2.107 1.00 0.00 C ATOM 1295 O LEU A 85 1.628 10.627 -2.043 1.00 0.00 O ATOM 1296 CB LEU A 85 1.864 7.787 -0.834 1.00 0.00 C ATOM 1297 CG LEU A 85 2.198 6.624 0.148 1.00 0.00 C ATOM 1298 CD1 LEU A 85 1.073 5.563 0.161 1.00 0.00 C ATOM 1299 CD2 LEU A 85 3.578 5.990 -0.170 1.00 0.00 C ATOM 0 H LEU A 85 2.235 9.601 0.929 1.00 0.00 H new ATOM 0 HA LEU A 85 3.897 8.437 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.921 8.239 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.706 7.366 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 85 2.262 7.047 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.334 4.764 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.139 6.027 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.952 5.149 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.778 5.183 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.571 5.593 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.356 6.749 -0.083 1.00 0.00 H new ATOM 1311 N GLU A 86 3.409 9.772 -3.166 1.00 0.00 N ATOM 1312 CA GLU A 86 3.279 10.592 -4.381 1.00 0.00 C ATOM 1313 C GLU A 86 3.231 9.644 -5.595 1.00 0.00 C ATOM 1314 O GLU A 86 2.382 9.797 -6.476 1.00 0.00 O ATOM 1315 CB GLU A 86 4.472 11.598 -4.442 1.00 0.00 C ATOM 1316 CG GLU A 86 4.388 12.725 -5.507 1.00 0.00 C ATOM 1317 CD GLU A 86 4.713 12.278 -6.945 1.00 0.00 C ATOM 1318 OE1 GLU A 86 5.881 11.906 -7.201 1.00 0.00 O ATOM 1319 OE2 GLU A 86 3.821 12.285 -7.817 1.00 0.00 O ATOM 0 H GLU A 86 4.191 9.119 -3.206 1.00 0.00 H new ATOM 0 HA GLU A 86 2.362 11.182 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.573 12.064 -3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.385 11.030 -4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.383 13.147 -5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.074 13.524 -5.226 1.00 0.00 H new ATOM 1326 N THR A 87 4.151 8.649 -5.620 1.00 0.00 N ATOM 1327 CA THR A 87 4.144 7.567 -6.634 1.00 0.00 C ATOM 1328 C THR A 87 3.891 6.202 -5.973 1.00 0.00 C ATOM 1329 O THR A 87 4.170 5.989 -4.774 1.00 0.00 O ATOM 1330 CB THR A 87 5.478 7.516 -7.467 1.00 0.00 C ATOM 1331 OG1 THR A 87 6.612 7.464 -6.594 1.00 0.00 O ATOM 1332 CG2 THR A 87 5.622 8.720 -8.404 1.00 0.00 C ATOM 0 H THR A 87 4.912 8.574 -4.945 1.00 0.00 H new ATOM 0 HA THR A 87 3.331 7.792 -7.324 1.00 0.00 H new ATOM 0 HB THR A 87 5.434 6.613 -8.076 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.434 7.431 -7.127 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.558 8.640 -8.958 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.787 8.738 -9.104 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.624 9.639 -7.818 1.00 0.00 H new ATOM 1340 N VAL A 88 3.353 5.278 -6.780 1.00 0.00 N ATOM 1341 CA VAL A 88 3.042 3.918 -6.344 1.00 0.00 C ATOM 1342 C VAL A 88 4.341 3.124 -6.120 1.00 0.00 C ATOM 1343 O VAL A 88 4.434 2.343 -5.170 1.00 0.00 O ATOM 1344 CB VAL A 88 2.104 3.198 -7.380 1.00 0.00 C ATOM 1345 CG1 VAL A 88 1.722 1.782 -6.909 1.00 0.00 C ATOM 1346 CG2 VAL A 88 0.837 4.038 -7.660 1.00 0.00 C ATOM 0 H VAL A 88 3.122 5.458 -7.757 1.00 0.00 H new ATOM 0 HA VAL A 88 2.505 3.969 -5.397 1.00 0.00 H new ATOM 0 HB VAL A 88 2.663 3.100 -8.310 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.073 1.315 -7.650 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.625 1.183 -6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.197 1.845 -5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.206 3.516 -8.380 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.284 4.183 -6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.126 5.007 -8.066 1.00 0.00 H new ATOM 1356 N ASP A 89 5.351 3.374 -6.981 1.00 0.00 N ATOM 1357 CA ASP A 89 6.695 2.767 -6.853 1.00 0.00 C ATOM 1358 C ASP A 89 7.339 3.164 -5.525 1.00 0.00 C ATOM 1359 O ASP A 89 8.012 2.352 -4.898 1.00 0.00 O ATOM 1360 CB ASP A 89 7.609 3.197 -8.024 1.00 0.00 C ATOM 1361 CG ASP A 89 9.010 2.549 -7.973 1.00 0.00 C ATOM 1362 OD1 ASP A 89 9.097 1.304 -8.080 1.00 0.00 O ATOM 1363 OD2 ASP A 89 10.019 3.270 -7.846 1.00 0.00 O ATOM 0 H ASP A 89 5.259 4.000 -7.781 1.00 0.00 H new ATOM 0 HA ASP A 89 6.576 1.684 -6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.129 2.934 -8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.717 4.282 -8.013 1.00 0.00 H new ATOM 1368 N GLU A 90 7.108 4.424 -5.118 1.00 0.00 N ATOM 1369 CA GLU A 90 7.567 4.954 -3.827 1.00 0.00 C ATOM 1370 C GLU A 90 6.963 4.153 -2.660 1.00 0.00 C ATOM 1371 O GLU A 90 7.656 3.897 -1.685 1.00 0.00 O ATOM 1372 CB GLU A 90 7.209 6.453 -3.719 1.00 0.00 C ATOM 1373 CG GLU A 90 7.575 7.132 -2.382 1.00 0.00 C ATOM 1374 CD GLU A 90 7.344 8.650 -2.402 1.00 0.00 C ATOM 1375 OE1 GLU A 90 6.220 9.081 -2.722 1.00 0.00 O ATOM 1376 OE2 GLU A 90 8.287 9.415 -2.113 1.00 0.00 O ATOM 0 H GLU A 90 6.595 5.104 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 90 8.651 4.851 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.711 6.987 -4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.137 6.565 -3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.983 6.690 -1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.622 6.931 -2.153 1.00 0.00 H new ATOM 1383 N LEU A 91 5.674 3.757 -2.783 1.00 0.00 N ATOM 1384 CA LEU A 91 5.008 2.878 -1.782 1.00 0.00 C ATOM 1385 C LEU A 91 5.693 1.492 -1.703 1.00 0.00 C ATOM 1386 O LEU A 91 5.898 0.966 -0.603 1.00 0.00 O ATOM 1387 CB LEU A 91 3.490 2.728 -2.089 1.00 0.00 C ATOM 1388 CG LEU A 91 2.669 1.806 -1.114 1.00 0.00 C ATOM 1389 CD1 LEU A 91 2.801 2.244 0.370 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.187 1.737 -1.537 1.00 0.00 C ATOM 0 H LEU A 91 5.073 4.029 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 91 5.110 3.356 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.040 3.721 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.383 2.337 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 91 3.098 0.807 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.215 1.575 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.848 2.201 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.432 3.264 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.641 1.093 -0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.756 2.738 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.115 1.331 -2.546 1.00 0.00 H new ATOM 1402 N PHE A 92 6.046 0.920 -2.875 1.00 0.00 N ATOM 1403 CA PHE A 92 6.797 -0.361 -2.957 1.00 0.00 C ATOM 1404 C PHE A 92 8.162 -0.240 -2.238 1.00 0.00 C ATOM 1405 O PHE A 92 8.532 -1.111 -1.449 1.00 0.00 O ATOM 1406 CB PHE A 92 6.999 -0.808 -4.442 1.00 0.00 C ATOM 1407 CG PHE A 92 5.738 -1.352 -5.131 1.00 0.00 C ATOM 1408 CD1 PHE A 92 5.366 -2.686 -4.978 1.00 0.00 C ATOM 1409 CD2 PHE A 92 4.934 -0.545 -5.935 1.00 0.00 C ATOM 1410 CE1 PHE A 92 4.236 -3.184 -5.604 1.00 0.00 C ATOM 1411 CE2 PHE A 92 3.807 -1.050 -6.556 1.00 0.00 C ATOM 1412 CZ PHE A 92 3.457 -2.367 -6.392 1.00 0.00 C ATOM 0 H PHE A 92 5.823 1.325 -3.784 1.00 0.00 H new ATOM 0 HA PHE A 92 6.205 -1.126 -2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.370 0.042 -5.015 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.772 -1.576 -4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.967 -3.340 -4.363 1.00 0.00 H new ATOM 0 HD2 PHE A 92 5.196 0.493 -6.075 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.964 -4.221 -5.473 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.199 -0.405 -7.173 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.576 -2.760 -6.878 1.00 0.00 H new ATOM 1422 N GLN A 93 8.867 0.880 -2.504 1.00 0.00 N ATOM 1423 CA GLN A 93 10.189 1.185 -1.915 1.00 0.00 C ATOM 1424 C GLN A 93 10.079 1.482 -0.409 1.00 0.00 C ATOM 1425 O GLN A 93 11.017 1.219 0.349 1.00 0.00 O ATOM 1426 CB GLN A 93 10.831 2.413 -2.622 1.00 0.00 C ATOM 1427 CG GLN A 93 11.118 2.232 -4.123 1.00 0.00 C ATOM 1428 CD GLN A 93 11.772 3.466 -4.753 1.00 0.00 C ATOM 1429 OE1 GLN A 93 11.092 4.354 -5.267 1.00 0.00 O ATOM 1430 NE2 GLN A 93 13.096 3.546 -4.673 1.00 0.00 N ATOM 0 H GLN A 93 8.532 1.604 -3.139 1.00 0.00 H new ATOM 0 HA GLN A 93 10.816 0.305 -2.058 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.170 3.270 -2.496 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.766 2.655 -2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.770 1.369 -4.263 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.185 2.015 -4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.627 2.791 -4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.581 4.363 -5.045 1.00 0.00 H new ATOM 1439 N LEU A 94 8.937 2.064 -0.005 1.00 0.00 N ATOM 1440 CA LEU A 94 8.692 2.516 1.374 1.00 0.00 C ATOM 1441 C LEU A 94 8.540 1.309 2.289 1.00 0.00 C ATOM 1442 O LEU A 94 9.260 1.194 3.274 1.00 0.00 O ATOM 1443 CB LEU A 94 7.440 3.449 1.418 1.00 0.00 C ATOM 1444 CG LEU A 94 7.148 4.211 2.768 1.00 0.00 C ATOM 1445 CD1 LEU A 94 6.328 5.491 2.511 1.00 0.00 C ATOM 1446 CD2 LEU A 94 6.424 3.321 3.820 1.00 0.00 C ATOM 0 H LEU A 94 8.151 2.235 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 94 9.542 3.098 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.546 4.193 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.564 2.848 1.174 1.00 0.00 H new ATOM 0 HG LEU A 94 8.120 4.480 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.140 5.999 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.885 6.153 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.378 5.227 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.250 3.899 4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.470 2.983 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.045 2.456 4.054 1.00 0.00 H new ATOM 1458 N VAL A 95 7.590 0.419 1.940 1.00 0.00 N ATOM 1459 CA VAL A 95 7.300 -0.803 2.711 1.00 0.00 C ATOM 1460 C VAL A 95 8.524 -1.753 2.686 1.00 0.00 C ATOM 1461 O VAL A 95 8.750 -2.504 3.635 1.00 0.00 O ATOM 1462 CB VAL A 95 5.997 -1.523 2.173 1.00 0.00 C ATOM 1463 CG1 VAL A 95 5.657 -2.798 2.983 1.00 0.00 C ATOM 1464 CG2 VAL A 95 4.789 -0.547 2.158 1.00 0.00 C ATOM 0 H VAL A 95 7.002 0.529 1.114 1.00 0.00 H new ATOM 0 HA VAL A 95 7.107 -0.522 3.746 1.00 0.00 H new ATOM 0 HB VAL A 95 6.206 -1.835 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.756 -3.257 2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.485 -3.503 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.490 -2.532 4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.906 -1.066 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.598 -0.189 3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.013 0.300 1.510 1.00 0.00 H new ATOM 1474 N GLU A 96 9.311 -1.678 1.591 1.00 0.00 N ATOM 1475 CA GLU A 96 10.597 -2.394 1.444 1.00 0.00 C ATOM 1476 C GLU A 96 11.595 -1.928 2.532 1.00 0.00 C ATOM 1477 O GLU A 96 12.116 -2.737 3.303 1.00 0.00 O ATOM 1478 CB GLU A 96 11.171 -2.125 0.025 1.00 0.00 C ATOM 1479 CG GLU A 96 12.497 -2.843 -0.310 1.00 0.00 C ATOM 1480 CD GLU A 96 13.111 -2.370 -1.646 1.00 0.00 C ATOM 1481 OE1 GLU A 96 12.577 -2.723 -2.721 1.00 0.00 O ATOM 1482 OE2 GLU A 96 14.127 -1.642 -1.629 1.00 0.00 O ATOM 0 H GLU A 96 9.069 -1.113 0.777 1.00 0.00 H new ATOM 0 HA GLU A 96 10.435 -3.465 1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.423 -2.421 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.322 -1.051 -0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.212 -2.671 0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.322 -3.918 -0.356 1.00 0.00 H new ATOM 1489 N LYS A 97 11.805 -0.604 2.598 1.00 0.00 N ATOM 1490 CA LYS A 97 12.749 0.031 3.540 1.00 0.00 C ATOM 1491 C LYS A 97 12.244 -0.072 4.995 1.00 0.00 C ATOM 1492 O LYS A 97 13.034 -0.097 5.943 1.00 0.00 O ATOM 1493 CB LYS A 97 12.967 1.515 3.138 1.00 0.00 C ATOM 1494 CG LYS A 97 14.085 2.244 3.920 1.00 0.00 C ATOM 1495 CD LYS A 97 14.270 3.716 3.476 1.00 0.00 C ATOM 1496 CE LYS A 97 15.456 4.406 4.173 1.00 0.00 C ATOM 1497 NZ LYS A 97 16.750 3.735 3.861 1.00 0.00 N ATOM 0 H LYS A 97 11.323 0.063 1.996 1.00 0.00 H new ATOM 0 HA LYS A 97 13.701 -0.498 3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.201 1.558 2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 97 12.032 2.056 3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.853 2.217 4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.025 1.708 3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.420 3.749 2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.357 4.272 3.688 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.503 5.449 3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.296 4.402 5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.538 4.344 4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.802 2.828 4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.814 3.563 2.837 1.00 0.00 H new ATOM 1511 N HIS A 98 10.913 -0.154 5.141 1.00 0.00 N ATOM 1512 CA HIS A 98 10.230 -0.200 6.446 1.00 0.00 C ATOM 1513 C HIS A 98 10.309 -1.621 7.039 1.00 0.00 C ATOM 1514 O HIS A 98 10.368 -1.792 8.263 1.00 0.00 O ATOM 1515 CB HIS A 98 8.750 0.258 6.283 1.00 0.00 C ATOM 1516 CG HIS A 98 8.105 0.714 7.566 1.00 0.00 C ATOM 1517 ND1 HIS A 98 7.715 -0.148 8.564 1.00 0.00 N ATOM 1518 CD2 HIS A 98 7.814 1.960 8.019 1.00 0.00 C ATOM 1519 CE1 HIS A 98 7.219 0.540 9.566 1.00 0.00 C ATOM 1520 NE2 HIS A 98 7.266 1.821 9.265 1.00 0.00 N ATOM 0 H HIS A 98 10.272 -0.191 4.348 1.00 0.00 H new ATOM 0 HA HIS A 98 10.727 0.481 7.137 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.710 1.072 5.559 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.169 -0.566 5.869 1.00 0.00 H new ATOM 0 HD2 HIS A 98 7.983 2.888 7.494 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.836 0.124 10.486 1.00 0.00 H new ATOM 0 HE2 HIS A 98 6.947 2.584 9.862 1.00 0.00 H new ATOM 1529 N ARG A 99 10.309 -2.629 6.136 1.00 0.00 N ATOM 1530 CA ARG A 99 10.453 -4.052 6.502 1.00 0.00 C ATOM 1531 C ARG A 99 11.915 -4.337 6.888 1.00 0.00 C ATOM 1532 O ARG A 99 12.188 -5.067 7.848 1.00 0.00 O ATOM 1533 CB ARG A 99 10.018 -4.978 5.320 1.00 0.00 C ATOM 1534 CG ARG A 99 10.040 -6.490 5.650 1.00 0.00 C ATOM 1535 CD ARG A 99 9.689 -7.392 4.444 1.00 0.00 C ATOM 1536 NE ARG A 99 10.728 -7.342 3.383 1.00 0.00 N ATOM 1537 CZ ARG A 99 11.459 -8.392 2.946 1.00 0.00 C ATOM 1538 NH1 ARG A 99 11.307 -9.597 3.482 1.00 0.00 N ATOM 1539 NH2 ARG A 99 12.350 -8.222 1.977 1.00 0.00 N ATOM 0 H ARG A 99 10.209 -2.475 5.133 1.00 0.00 H new ATOM 0 HA ARG A 99 9.804 -4.262 7.352 1.00 0.00 H new ATOM 0 HB2 ARG A 99 9.011 -4.701 5.009 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.675 -4.795 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 99 11.030 -6.759 6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.335 -6.687 6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 99 9.570 -8.420 4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.731 -7.081 4.027 1.00 0.00 H new ATOM 0 HE ARG A 99 10.905 -6.437 2.947 1.00 0.00 H new ATOM 0 HH11 ARG A 99 10.632 -9.740 4.233 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.865 -10.380 3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.483 -7.300 1.562 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.902 -9.014 1.647 1.00 0.00 H new ATOM 1553 N ALA A 100 12.840 -3.742 6.107 1.00 0.00 N ATOM 1554 CA ALA A 100 14.291 -3.825 6.342 1.00 0.00 C ATOM 1555 C ALA A 100 14.665 -3.156 7.675 1.00 0.00 C ATOM 1556 O ALA A 100 15.480 -3.687 8.436 1.00 0.00 O ATOM 1557 CB ALA A 100 15.044 -3.170 5.173 1.00 0.00 C ATOM 0 H ALA A 100 12.595 -3.186 5.288 1.00 0.00 H new ATOM 0 HA ALA A 100 14.580 -4.874 6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 100 16.118 -3.233 5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.798 -3.688 4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.751 -2.123 5.092 1.00 0.00 H new ATOM 1563 N ALA A 101 14.039 -1.985 7.918 1.00 0.00 N ATOM 1564 CA ALA A 101 14.199 -1.165 9.141 1.00 0.00 C ATOM 1565 C ALA A 101 15.654 -0.666 9.328 1.00 0.00 C ATOM 1566 O ALA A 101 16.485 -0.777 8.416 1.00 0.00 O ATOM 1567 CB ALA A 101 13.688 -1.926 10.385 1.00 0.00 C ATOM 0 H ALA A 101 13.389 -1.571 7.250 1.00 0.00 H new ATOM 0 HA ALA A 101 13.583 -0.274 9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.816 -1.303 11.270 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.632 -2.163 10.258 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.255 -2.849 10.505 1.00 0.00 H new ATOM 1573 N GLY A 102 15.937 -0.078 10.506 1.00 0.00 N ATOM 1574 CA GLY A 102 17.296 0.346 10.875 1.00 0.00 C ATOM 1575 C GLY A 102 17.900 -0.529 11.974 1.00 0.00 C ATOM 1576 O GLY A 102 18.925 -0.167 12.560 1.00 0.00 O ATOM 0 H GLY A 102 15.235 0.114 11.221 1.00 0.00 H new ATOM 0 HA2 GLY A 102 17.936 0.312 9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 102 17.272 1.383 11.211 1.00 0.00 H new ATOM 1580 N SER A 103 17.252 -1.680 12.249 1.00 0.00 N ATOM 1581 CA SER A 103 17.692 -2.644 13.274 1.00 0.00 C ATOM 1582 C SER A 103 18.678 -3.657 12.640 1.00 0.00 C ATOM 1583 O SER A 103 19.908 -3.495 12.806 1.00 0.00 O ATOM 1584 CB SER A 103 16.451 -3.353 13.893 1.00 0.00 C ATOM 1585 OG SER A 103 15.502 -2.408 14.366 1.00 0.00 O ATOM 1586 OXT SER A 103 18.227 -4.591 11.945 1.00 0.00 O ATOM 0 H SER A 103 16.403 -1.967 11.762 1.00 0.00 H new ATOM 0 HA SER A 103 18.214 -2.126 14.079 1.00 0.00 H new ATOM 0 HB2 SER A 103 15.986 -3.996 13.146 1.00 0.00 H new ATOM 0 HB3 SER A 103 16.768 -3.996 14.714 1.00 0.00 H new ATOM 0 HG SER A 103 14.733 -2.880 14.748 1.00 0.00 H new TER 1592 SER A 103