USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0563 (180deg=-0.0954) USER MOD Single : A 3 HIS : no HD1:sc= -0.315 X(o=-0.31,f=-0.31) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 5 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.17) USER MOD Single : A 6 HIS : no HE2:sc= -0.139 X(o=-0.14,f=-0.1) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -160:sc= -0.175 (180deg=-0.782) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 45:sc= 0.704 USER MOD Single : A 16 THR OG1 : rot 41:sc= 0.662 USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= -0.035 (180deg=-0.238) USER MOD Single : A 25 ASN : amide:sc= -0.576 K(o=-0.58,f=-4!) USER MOD Single : A 29 MET CE :methyl 160:sc= -0.164 (180deg=-0.83) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -2.29! C(o=-2.3!,f=-2.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -78:sc= 0.514 USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= 2.1 (180deg=0.906) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -2.54! C(o=-2.5!,f=-10!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.751 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.070 -53.643 -31.737 1.00 43.22 N ATOM 2 CA MET A 1 -4.155 -54.547 -30.987 1.00 61.34 C ATOM 3 C MET A 1 -2.802 -53.867 -30.715 1.00 75.22 C ATOM 4 O MET A 1 -2.658 -52.655 -30.891 1.00 12.31 O ATOM 5 CB MET A 1 -3.938 -55.853 -31.771 1.00 35.54 C ATOM 6 CG MET A 1 -5.198 -56.688 -31.943 1.00 24.01 C ATOM 7 SD MET A 1 -4.888 -58.233 -32.817 1.00 4.44 S ATOM 8 CE MET A 1 -6.495 -59.018 -32.712 1.00 44.42 C ATOM 0 H1 MET A 1 -5.964 -53.543 -31.215 1.00 43.22 H new ATOM 0 H2 MET A 1 -4.625 -52.709 -31.844 1.00 43.22 H new ATOM 0 H3 MET A 1 -5.261 -54.045 -32.677 1.00 43.22 H new ATOM 0 HA MET A 1 -4.620 -54.777 -30.028 1.00 61.34 H new ATOM 0 HB2 MET A 1 -3.537 -55.611 -32.755 1.00 35.54 H new ATOM 0 HB3 MET A 1 -3.185 -56.452 -31.258 1.00 35.54 H new ATOM 0 HG2 MET A 1 -5.621 -56.907 -30.963 1.00 24.01 H new ATOM 0 HG3 MET A 1 -5.942 -56.108 -32.489 1.00 24.01 H new ATOM 0 HE1 MET A 1 -6.460 -59.987 -33.210 1.00 44.42 H new ATOM 0 HE2 MET A 1 -6.764 -59.158 -31.665 1.00 44.42 H new ATOM 0 HE3 MET A 1 -7.240 -58.387 -33.197 1.00 44.42 H new ATOM 20 N GLY A 2 -1.817 -54.645 -30.262 1.00 43.33 N ATOM 21 CA GLY A 2 -0.495 -54.094 -29.968 1.00 74.01 C ATOM 22 C GLY A 2 -0.424 -53.425 -28.597 1.00 71.54 C ATOM 23 O GLY A 2 0.410 -53.782 -27.762 1.00 3.10 O ATOM 0 H GLY A 2 -1.908 -55.647 -30.093 1.00 43.33 H new ATOM 0 HA2 GLY A 2 0.245 -54.893 -30.016 1.00 74.01 H new ATOM 0 HA3 GLY A 2 -0.230 -53.367 -30.736 1.00 74.01 H new ATOM 27 N HIS A 3 -1.292 -52.437 -28.377 1.00 70.32 N ATOM 28 CA HIS A 3 -1.423 -51.767 -27.074 1.00 73.20 C ATOM 29 C HIS A 3 -0.135 -51.012 -26.679 1.00 63.23 C ATOM 30 O HIS A 3 0.272 -51.009 -25.515 1.00 54.15 O ATOM 31 CB HIS A 3 -1.820 -52.796 -25.995 1.00 1.54 C ATOM 32 CG HIS A 3 -2.173 -52.200 -24.660 1.00 52.33 C ATOM 33 ND1 HIS A 3 -2.119 -52.913 -23.483 1.00 40.23 N ATOM 34 CD2 HIS A 3 -2.597 -50.956 -24.318 1.00 3.34 C ATOM 35 CE1 HIS A 3 -2.487 -52.142 -22.481 1.00 71.42 C ATOM 36 NE2 HIS A 3 -2.782 -50.951 -22.959 1.00 10.14 N ATOM 0 H HIS A 3 -1.924 -52.076 -29.092 1.00 70.32 H new ATOM 0 HA HIS A 3 -2.210 -51.018 -27.156 1.00 73.20 H new ATOM 0 HB2 HIS A 3 -2.671 -53.372 -26.357 1.00 1.54 H new ATOM 0 HB3 HIS A 3 -0.996 -53.496 -25.859 1.00 1.54 H new ATOM 0 HD2 HIS A 3 -2.758 -50.126 -24.990 1.00 3.34 H new ATOM 0 HE1 HIS A 3 -2.538 -52.436 -21.443 1.00 71.42 H new ATOM 0 HE2 HIS A 3 -3.097 -50.153 -22.407 1.00 10.14 H new ATOM 45 N HIS A 4 0.486 -50.341 -27.648 1.00 50.11 N ATOM 46 CA HIS A 4 1.695 -49.559 -27.382 1.00 65.33 C ATOM 47 C HIS A 4 1.366 -48.306 -26.552 1.00 54.21 C ATOM 48 O HIS A 4 1.122 -47.223 -27.096 1.00 64.25 O ATOM 49 CB HIS A 4 2.393 -49.167 -28.691 1.00 10.34 C ATOM 50 CG HIS A 4 3.652 -48.373 -28.486 1.00 54.20 C ATOM 51 ND1 HIS A 4 3.854 -47.128 -29.035 1.00 24.34 N ATOM 52 CD2 HIS A 4 4.784 -48.658 -27.794 1.00 60.11 C ATOM 53 CE1 HIS A 4 5.044 -46.682 -28.696 1.00 5.43 C ATOM 54 NE2 HIS A 4 5.633 -47.587 -27.942 1.00 63.03 N ATOM 0 H HIS A 4 0.175 -50.322 -28.619 1.00 50.11 H new ATOM 0 HA HIS A 4 2.377 -50.184 -26.805 1.00 65.33 H new ATOM 0 HB2 HIS A 4 2.631 -50.071 -29.251 1.00 10.34 H new ATOM 0 HB3 HIS A 4 1.702 -48.586 -29.302 1.00 10.34 H new ATOM 0 HD2 HIS A 4 4.981 -49.559 -27.232 1.00 60.11 H new ATOM 0 HE1 HIS A 4 5.467 -45.732 -28.987 1.00 5.43 H new ATOM 0 HE2 HIS A 4 6.565 -47.507 -27.535 1.00 63.03 H new ATOM 63 N HIS A 5 1.338 -48.472 -25.233 1.00 70.33 N ATOM 64 CA HIS A 5 1.055 -47.362 -24.319 1.00 61.03 C ATOM 65 C HIS A 5 2.150 -46.283 -24.387 1.00 53.42 C ATOM 66 O HIS A 5 3.345 -46.587 -24.389 1.00 20.02 O ATOM 67 CB HIS A 5 0.893 -47.879 -22.880 1.00 31.30 C ATOM 68 CG HIS A 5 2.051 -48.695 -22.383 1.00 12.41 C ATOM 69 ND1 HIS A 5 2.035 -50.073 -22.332 1.00 4.13 N ATOM 70 CD2 HIS A 5 3.263 -48.323 -21.906 1.00 10.40 C ATOM 71 CE1 HIS A 5 3.179 -50.510 -21.851 1.00 54.42 C ATOM 72 NE2 HIS A 5 3.945 -49.471 -21.587 1.00 23.45 N ATOM 0 H HIS A 5 1.508 -49.365 -24.769 1.00 70.33 H new ATOM 0 HA HIS A 5 0.118 -46.902 -24.633 1.00 61.03 H new ATOM 0 HB2 HIS A 5 0.751 -47.028 -22.214 1.00 31.30 H new ATOM 0 HB3 HIS A 5 -0.013 -48.483 -22.823 1.00 31.30 H new ATOM 0 HD2 HIS A 5 3.625 -47.311 -21.797 1.00 10.40 H new ATOM 0 HE1 HIS A 5 3.445 -51.545 -21.698 1.00 54.42 H new ATOM 0 HE2 HIS A 5 4.891 -49.513 -21.207 1.00 23.45 H new ATOM 81 N HIS A 6 1.729 -45.023 -24.438 1.00 15.40 N ATOM 82 CA HIS A 6 2.657 -43.892 -24.533 1.00 72.01 C ATOM 83 C HIS A 6 2.362 -42.831 -23.459 1.00 14.12 C ATOM 84 O HIS A 6 1.519 -41.948 -23.641 1.00 73.14 O ATOM 85 CB HIS A 6 2.605 -43.282 -25.946 1.00 74.13 C ATOM 86 CG HIS A 6 1.215 -43.163 -26.505 1.00 31.13 C ATOM 87 ND1 HIS A 6 0.664 -44.107 -27.344 1.00 44.14 N ATOM 88 CD2 HIS A 6 0.262 -42.213 -26.340 1.00 15.24 C ATOM 89 CE1 HIS A 6 -0.559 -43.746 -27.669 1.00 1.00 C ATOM 90 NE2 HIS A 6 -0.831 -42.604 -27.072 1.00 42.12 N ATOM 0 H HIS A 6 0.745 -44.754 -24.415 1.00 15.40 H new ATOM 0 HA HIS A 6 3.666 -44.262 -24.351 1.00 72.01 H new ATOM 0 HB2 HIS A 6 3.063 -42.293 -25.922 1.00 74.13 H new ATOM 0 HB3 HIS A 6 3.206 -43.895 -26.618 1.00 74.13 H new ATOM 0 HD1 HIS A 6 1.132 -44.955 -27.664 1.00 44.14 H new ATOM 0 HD2 HIS A 6 0.347 -41.316 -25.744 1.00 15.24 H new ATOM 0 HE1 HIS A 6 -1.227 -44.294 -28.316 1.00 1.00 H new ATOM 99 N HIS A 7 3.055 -42.942 -22.332 1.00 31.35 N ATOM 100 CA HIS A 7 2.900 -42.008 -21.211 1.00 1.23 C ATOM 101 C HIS A 7 4.027 -40.962 -21.218 1.00 22.33 C ATOM 102 O HIS A 7 5.207 -41.314 -21.201 1.00 34.40 O ATOM 103 CB HIS A 7 2.901 -42.793 -19.890 1.00 52.30 C ATOM 104 CG HIS A 7 2.916 -41.930 -18.663 1.00 60.11 C ATOM 105 ND1 HIS A 7 4.075 -41.592 -17.999 1.00 34.44 N ATOM 106 CD2 HIS A 7 1.908 -41.346 -17.970 1.00 13.44 C ATOM 107 CE1 HIS A 7 3.782 -40.843 -16.958 1.00 41.13 C ATOM 108 NE2 HIS A 7 2.475 -40.677 -16.912 1.00 60.51 N ATOM 0 H HIS A 7 3.740 -43.679 -22.164 1.00 31.35 H new ATOM 0 HA HIS A 7 1.952 -41.480 -21.314 1.00 1.23 H new ATOM 0 HB2 HIS A 7 2.019 -43.433 -19.860 1.00 52.30 H new ATOM 0 HB3 HIS A 7 3.772 -43.449 -19.870 1.00 52.30 H new ATOM 0 HD2 HIS A 7 0.855 -41.397 -18.206 1.00 13.44 H new ATOM 0 HE1 HIS A 7 4.494 -40.432 -16.257 1.00 41.13 H new ATOM 0 HE2 HIS A 7 1.968 -40.141 -16.208 1.00 60.51 H new ATOM 117 N HIS A 8 3.663 -39.679 -21.248 1.00 73.15 N ATOM 118 CA HIS A 8 4.660 -38.597 -21.295 1.00 4.14 C ATOM 119 C HIS A 8 4.210 -37.365 -20.496 1.00 41.20 C ATOM 120 O HIS A 8 3.052 -36.959 -20.551 1.00 74.40 O ATOM 121 CB HIS A 8 4.949 -38.207 -22.752 1.00 33.20 C ATOM 122 CG HIS A 8 3.714 -37.908 -23.547 1.00 2.03 C ATOM 123 ND1 HIS A 8 3.042 -38.869 -24.271 1.00 3.01 N ATOM 124 CD2 HIS A 8 3.021 -36.758 -23.727 1.00 24.13 C ATOM 125 CE1 HIS A 8 1.998 -38.327 -24.857 1.00 43.14 C ATOM 126 NE2 HIS A 8 1.959 -37.049 -24.544 1.00 3.24 N ATOM 0 H HIS A 8 2.694 -39.361 -21.241 1.00 73.15 H new ATOM 0 HA HIS A 8 5.573 -38.972 -20.832 1.00 4.14 H new ATOM 0 HB2 HIS A 8 5.600 -37.332 -22.764 1.00 33.20 H new ATOM 0 HB3 HIS A 8 5.495 -39.017 -23.235 1.00 33.20 H new ATOM 0 HD2 HIS A 8 3.260 -35.793 -23.306 1.00 24.13 H new ATOM 0 HE1 HIS A 8 1.291 -38.843 -25.489 1.00 43.14 H new ATOM 0 HE2 HIS A 8 1.253 -36.383 -24.858 1.00 3.24 H new ATOM 135 N SER A 9 5.147 -36.783 -19.755 1.00 31.33 N ATOM 136 CA SER A 9 4.900 -35.561 -18.977 1.00 12.45 C ATOM 137 C SER A 9 6.129 -34.643 -19.006 1.00 3.04 C ATOM 138 O SER A 9 7.260 -35.103 -18.834 1.00 52.43 O ATOM 139 CB SER A 9 4.551 -35.917 -17.523 1.00 42.13 C ATOM 140 OG SER A 9 5.538 -36.764 -16.949 1.00 13.30 O ATOM 0 H SER A 9 6.099 -37.139 -19.673 1.00 31.33 H new ATOM 0 HA SER A 9 4.059 -35.034 -19.428 1.00 12.45 H new ATOM 0 HB2 SER A 9 4.464 -35.004 -16.933 1.00 42.13 H new ATOM 0 HB3 SER A 9 3.580 -36.411 -17.490 1.00 42.13 H new ATOM 0 HG SER A 9 5.292 -36.973 -16.024 1.00 13.30 H new ATOM 146 N HIS A 10 5.911 -33.350 -19.243 1.00 40.32 N ATOM 147 CA HIS A 10 7.018 -32.387 -19.324 1.00 10.05 C ATOM 148 C HIS A 10 6.522 -30.934 -19.209 1.00 32.21 C ATOM 149 O HIS A 10 5.539 -30.551 -19.841 1.00 5.14 O ATOM 150 CB HIS A 10 7.791 -32.580 -20.643 1.00 24.03 C ATOM 151 CG HIS A 10 8.993 -31.689 -20.787 1.00 30.31 C ATOM 152 ND1 HIS A 10 10.220 -31.986 -20.236 1.00 23.14 N ATOM 153 CD2 HIS A 10 9.152 -30.501 -21.424 1.00 71.13 C ATOM 154 CE1 HIS A 10 11.078 -31.025 -20.523 1.00 2.34 C ATOM 155 NE2 HIS A 10 10.458 -30.113 -21.240 1.00 31.45 N ATOM 0 H HIS A 10 4.986 -32.943 -19.382 1.00 40.32 H new ATOM 0 HA HIS A 10 7.684 -32.576 -18.482 1.00 10.05 H new ATOM 0 HB2 HIS A 10 8.112 -33.619 -20.715 1.00 24.03 H new ATOM 0 HB3 HIS A 10 7.115 -32.397 -21.478 1.00 24.03 H new ATOM 0 HD2 HIS A 10 8.394 -29.961 -21.973 1.00 71.13 H new ATOM 0 HE1 HIS A 10 12.114 -30.993 -20.220 1.00 2.34 H new ATOM 0 HE2 HIS A 10 10.878 -29.257 -21.601 1.00 31.45 H new ATOM 164 N MET A 11 7.209 -30.135 -18.392 1.00 73.12 N ATOM 165 CA MET A 11 6.925 -28.694 -18.280 1.00 24.14 C ATOM 166 C MET A 11 8.226 -27.874 -18.373 1.00 11.10 C ATOM 167 O MET A 11 9.317 -28.438 -18.480 1.00 62.14 O ATOM 168 CB MET A 11 6.206 -28.387 -16.956 1.00 42.34 C ATOM 169 CG MET A 11 7.013 -28.753 -15.718 1.00 62.24 C ATOM 170 SD MET A 11 6.204 -28.252 -14.185 1.00 74.31 S ATOM 171 CE MET A 11 6.183 -26.469 -14.378 1.00 24.44 C ATOM 0 H MET A 11 7.970 -30.458 -17.794 1.00 73.12 H new ATOM 0 HA MET A 11 6.274 -28.413 -19.108 1.00 24.14 H new ATOM 0 HB2 MET A 11 5.967 -27.324 -16.921 1.00 42.34 H new ATOM 0 HB3 MET A 11 5.260 -28.927 -16.934 1.00 42.34 H new ATOM 0 HG2 MET A 11 7.177 -29.830 -15.702 1.00 62.24 H new ATOM 0 HG3 MET A 11 7.994 -28.282 -15.777 1.00 62.24 H new ATOM 0 HE1 MET A 11 6.053 -25.999 -13.403 1.00 24.44 H new ATOM 0 HE2 MET A 11 7.125 -26.139 -14.817 1.00 24.44 H new ATOM 0 HE3 MET A 11 5.358 -26.183 -15.031 1.00 24.44 H new ATOM 181 N SER A 12 8.107 -26.549 -18.334 1.00 62.21 N ATOM 182 CA SER A 12 9.280 -25.659 -18.368 1.00 41.23 C ATOM 183 C SER A 12 9.411 -24.867 -17.059 1.00 15.15 C ATOM 184 O SER A 12 8.413 -24.537 -16.417 1.00 74.31 O ATOM 185 CB SER A 12 9.183 -24.692 -19.555 1.00 34.53 C ATOM 186 OG SER A 12 8.039 -23.861 -19.454 1.00 4.43 O ATOM 0 H SER A 12 7.213 -26.061 -18.279 1.00 62.21 H new ATOM 0 HA SER A 12 10.168 -26.280 -18.485 1.00 41.23 H new ATOM 0 HB2 SER A 12 10.080 -24.075 -19.597 1.00 34.53 H new ATOM 0 HB3 SER A 12 9.142 -25.259 -20.485 1.00 34.53 H new ATOM 0 HG SER A 12 8.006 -23.255 -20.224 1.00 4.43 H new ATOM 192 N THR A 13 10.649 -24.578 -16.658 1.00 2.32 N ATOM 193 CA THR A 13 10.910 -23.817 -15.426 1.00 23.33 C ATOM 194 C THR A 13 11.894 -22.665 -15.672 1.00 34.12 C ATOM 195 O THR A 13 13.082 -22.894 -15.912 1.00 51.44 O ATOM 196 CB THR A 13 11.481 -24.718 -14.296 1.00 44.34 C ATOM 197 OG1 THR A 13 12.715 -25.332 -14.717 1.00 30.10 O ATOM 198 CG2 THR A 13 10.483 -25.800 -13.892 1.00 23.35 C ATOM 0 H THR A 13 11.489 -24.857 -17.165 1.00 2.32 H new ATOM 0 HA THR A 13 9.946 -23.415 -15.113 1.00 23.33 H new ATOM 0 HB THR A 13 11.670 -24.082 -13.431 1.00 44.34 H new ATOM 0 HG1 THR A 13 13.278 -24.664 -15.162 1.00 30.10 H new ATOM 0 HG21 THR A 13 10.912 -26.413 -13.100 1.00 23.35 H new ATOM 0 HG22 THR A 13 9.566 -25.333 -13.533 1.00 23.35 H new ATOM 0 HG23 THR A 13 10.257 -26.427 -14.754 1.00 23.35 H new ATOM 206 N PRO A 14 11.414 -21.403 -15.636 1.00 62.42 N ATOM 207 CA PRO A 14 12.284 -20.217 -15.758 1.00 52.25 C ATOM 208 C PRO A 14 13.070 -19.926 -14.466 1.00 63.44 C ATOM 209 O PRO A 14 12.966 -20.665 -13.484 1.00 21.32 O ATOM 210 CB PRO A 14 11.284 -19.092 -16.052 1.00 22.33 C ATOM 211 CG PRO A 14 10.030 -19.524 -15.371 1.00 20.50 C ATOM 212 CD PRO A 14 9.991 -21.030 -15.487 1.00 73.22 C ATOM 0 HA PRO A 14 13.050 -20.342 -16.523 1.00 52.25 H new ATOM 0 HB2 PRO A 14 11.637 -18.136 -15.666 1.00 22.33 H new ATOM 0 HB3 PRO A 14 11.131 -18.966 -17.124 1.00 22.33 H new ATOM 0 HG2 PRO A 14 10.026 -19.213 -14.326 1.00 20.50 H new ATOM 0 HG3 PRO A 14 9.156 -19.074 -15.841 1.00 20.50 H new ATOM 0 HD2 PRO A 14 9.546 -21.489 -14.604 1.00 73.22 H new ATOM 0 HD3 PRO A 14 9.400 -21.351 -16.345 1.00 73.22 H new ATOM 220 N LEU A 15 13.855 -18.847 -14.463 1.00 14.43 N ATOM 221 CA LEU A 15 14.632 -18.468 -13.279 1.00 5.34 C ATOM 222 C LEU A 15 13.730 -17.887 -12.179 1.00 63.23 C ATOM 223 O LEU A 15 13.260 -16.749 -12.273 1.00 13.13 O ATOM 224 CB LEU A 15 15.732 -17.461 -13.644 1.00 14.22 C ATOM 225 CG LEU A 15 16.811 -17.981 -14.609 1.00 61.10 C ATOM 226 CD1 LEU A 15 17.890 -16.924 -14.821 1.00 24.13 C ATOM 227 CD2 LEU A 15 17.424 -19.287 -14.096 1.00 72.31 C ATOM 0 H LEU A 15 13.970 -18.223 -15.261 1.00 14.43 H new ATOM 0 HA LEU A 15 15.100 -19.374 -12.894 1.00 5.34 H new ATOM 0 HB2 LEU A 15 15.264 -16.583 -14.089 1.00 14.22 H new ATOM 0 HB3 LEU A 15 16.218 -17.132 -12.726 1.00 14.22 H new ATOM 0 HG LEU A 15 16.338 -18.189 -15.569 1.00 61.10 H new ATOM 0 HD11 LEU A 15 18.646 -17.308 -15.506 1.00 24.13 H new ATOM 0 HD12 LEU A 15 17.441 -16.025 -15.243 1.00 24.13 H new ATOM 0 HD13 LEU A 15 18.356 -16.683 -13.865 1.00 24.13 H new ATOM 0 HD21 LEU A 15 18.184 -19.632 -14.797 1.00 72.31 H new ATOM 0 HD22 LEU A 15 17.881 -19.116 -13.121 1.00 72.31 H new ATOM 0 HD23 LEU A 15 16.644 -20.043 -14.004 1.00 72.31 H new ATOM 239 N THR A 16 13.485 -18.685 -11.145 1.00 10.33 N ATOM 240 CA THR A 16 12.646 -18.263 -10.018 1.00 14.04 C ATOM 241 C THR A 16 13.410 -17.319 -9.080 1.00 65.05 C ATOM 242 O THR A 16 14.320 -17.733 -8.356 1.00 24.11 O ATOM 243 CB THR A 16 12.116 -19.474 -9.204 1.00 4.32 C ATOM 244 OG1 THR A 16 13.209 -20.242 -8.677 1.00 74.51 O ATOM 245 CG2 THR A 16 11.235 -20.373 -10.067 1.00 33.22 C ATOM 0 H THR A 16 13.855 -19.632 -11.060 1.00 10.33 H new ATOM 0 HA THR A 16 11.795 -17.734 -10.447 1.00 14.04 H new ATOM 0 HB THR A 16 11.518 -19.083 -8.381 1.00 4.32 H new ATOM 0 HG1 THR A 16 13.904 -19.636 -8.345 1.00 74.51 H new ATOM 0 HG21 THR A 16 10.878 -21.213 -9.471 1.00 33.22 H new ATOM 0 HG22 THR A 16 10.383 -19.802 -10.436 1.00 33.22 H new ATOM 0 HG23 THR A 16 11.814 -20.747 -10.911 1.00 33.22 H new ATOM 253 N GLY A 17 13.035 -16.045 -9.105 1.00 51.30 N ATOM 254 CA GLY A 17 13.689 -15.052 -8.267 1.00 14.20 C ATOM 255 C GLY A 17 12.889 -13.762 -8.149 1.00 52.44 C ATOM 256 O GLY A 17 11.658 -13.792 -8.118 1.00 73.14 O ATOM 0 H GLY A 17 12.286 -15.679 -9.693 1.00 51.30 H new ATOM 0 HA2 GLY A 17 13.846 -15.469 -7.272 1.00 14.20 H new ATOM 0 HA3 GLY A 17 14.673 -14.828 -8.678 1.00 14.20 H new ATOM 260 N LYS A 18 13.601 -12.634 -8.089 1.00 3.55 N ATOM 261 CA LYS A 18 12.990 -11.300 -7.982 1.00 0.05 C ATOM 262 C LYS A 18 12.316 -11.076 -6.610 1.00 31.35 C ATOM 263 O LYS A 18 11.715 -11.990 -6.034 1.00 61.04 O ATOM 264 CB LYS A 18 11.982 -11.060 -9.125 1.00 74.01 C ATOM 265 CG LYS A 18 12.573 -11.246 -10.523 1.00 74.11 C ATOM 266 CD LYS A 18 13.797 -10.361 -10.748 1.00 73.43 C ATOM 267 CE LYS A 18 14.395 -10.568 -12.135 1.00 60.21 C ATOM 268 NZ LYS A 18 14.815 -11.979 -12.361 1.00 23.11 N ATOM 0 H LYS A 18 14.621 -12.616 -8.113 1.00 3.55 H new ATOM 0 HA LYS A 18 13.798 -10.574 -8.071 1.00 0.05 H new ATOM 0 HB2 LYS A 18 11.141 -11.742 -9.003 1.00 74.01 H new ATOM 0 HB3 LYS A 18 11.586 -10.048 -9.040 1.00 74.01 H new ATOM 0 HG2 LYS A 18 12.850 -12.291 -10.664 1.00 74.11 H new ATOM 0 HG3 LYS A 18 11.815 -11.014 -11.271 1.00 74.11 H new ATOM 0 HD2 LYS A 18 13.517 -9.315 -10.625 1.00 73.43 H new ATOM 0 HD3 LYS A 18 14.549 -10.581 -9.991 1.00 73.43 H new ATOM 0 HE2 LYS A 18 13.663 -10.283 -12.891 1.00 60.21 H new ATOM 0 HE3 LYS A 18 15.255 -9.910 -12.260 1.00 60.21 H new ATOM 0 HZ1 LYS A 18 15.394 -12.035 -13.223 1.00 23.11 H new ATOM 0 HZ2 LYS A 18 15.372 -12.310 -11.548 1.00 23.11 H new ATOM 0 HZ3 LYS A 18 13.972 -12.579 -12.470 1.00 23.11 H new ATOM 282 N PRO A 19 12.426 -9.850 -6.057 1.00 15.15 N ATOM 283 CA PRO A 19 11.828 -9.510 -4.761 1.00 60.44 C ATOM 284 C PRO A 19 10.343 -9.104 -4.863 1.00 54.31 C ATOM 285 O PRO A 19 10.009 -7.994 -5.293 1.00 53.00 O ATOM 286 CB PRO A 19 12.692 -8.331 -4.300 1.00 14.44 C ATOM 287 CG PRO A 19 13.091 -7.639 -5.565 1.00 34.51 C ATOM 288 CD PRO A 19 13.161 -8.704 -6.638 1.00 54.21 C ATOM 0 HA PRO A 19 11.819 -10.357 -4.075 1.00 60.44 H new ATOM 0 HB2 PRO A 19 12.135 -7.664 -3.642 1.00 14.44 H new ATOM 0 HB3 PRO A 19 13.564 -8.673 -3.743 1.00 14.44 H new ATOM 0 HG2 PRO A 19 12.367 -6.869 -5.830 1.00 34.51 H new ATOM 0 HG3 PRO A 19 14.055 -7.143 -5.448 1.00 34.51 H new ATOM 0 HD2 PRO A 19 12.702 -8.365 -7.567 1.00 54.21 H new ATOM 0 HD3 PRO A 19 14.193 -8.968 -6.871 1.00 54.21 H new ATOM 296 N GLY A 20 9.449 -10.021 -4.489 1.00 45.41 N ATOM 297 CA GLY A 20 8.024 -9.707 -4.419 1.00 33.22 C ATOM 298 C GLY A 20 7.687 -8.814 -3.229 1.00 71.03 C ATOM 299 O GLY A 20 7.012 -9.236 -2.288 1.00 23.25 O ATOM 0 H GLY A 20 9.685 -10.979 -4.232 1.00 45.41 H new ATOM 0 HA2 GLY A 20 7.717 -9.212 -5.340 1.00 33.22 H new ATOM 0 HA3 GLY A 20 7.453 -10.633 -4.349 1.00 33.22 H new ATOM 303 N ALA A 21 8.164 -7.571 -3.275 1.00 52.05 N ATOM 304 CA ALA A 21 8.004 -6.620 -2.170 1.00 43.13 C ATOM 305 C ALA A 21 7.321 -5.321 -2.632 1.00 72.23 C ATOM 306 O ALA A 21 6.614 -5.306 -3.642 1.00 14.31 O ATOM 307 CB ALA A 21 9.372 -6.327 -1.560 1.00 3.31 C ATOM 0 H ALA A 21 8.671 -7.193 -4.075 1.00 52.05 H new ATOM 0 HA ALA A 21 7.356 -7.067 -1.416 1.00 43.13 H new ATOM 0 HB1 ALA A 21 9.260 -5.620 -0.738 1.00 3.31 H new ATOM 0 HB2 ALA A 21 9.809 -7.253 -1.186 1.00 3.31 H new ATOM 0 HB3 ALA A 21 10.025 -5.898 -2.320 1.00 3.31 H new ATOM 313 N LEU A 22 7.515 -4.240 -1.873 1.00 3.22 N ATOM 314 CA LEU A 22 6.924 -2.933 -2.204 1.00 63.23 C ATOM 315 C LEU A 22 7.906 -2.039 -2.983 1.00 75.44 C ATOM 316 O LEU A 22 9.123 -2.254 -2.939 1.00 23.02 O ATOM 317 CB LEU A 22 6.503 -2.207 -0.914 1.00 4.02 C ATOM 318 CG LEU A 22 5.452 -2.926 -0.058 1.00 21.21 C ATOM 319 CD1 LEU A 22 5.197 -2.160 1.237 1.00 54.15 C ATOM 320 CD2 LEU A 22 4.155 -3.118 -0.841 1.00 44.21 C ATOM 0 H LEU A 22 8.078 -4.240 -1.022 1.00 3.22 H new ATOM 0 HA LEU A 22 6.056 -3.120 -2.836 1.00 63.23 H new ATOM 0 HB2 LEU A 22 7.392 -2.044 -0.304 1.00 4.02 H new ATOM 0 HB3 LEU A 22 6.116 -1.224 -1.182 1.00 4.02 H new ATOM 0 HG LEU A 22 5.839 -3.912 0.201 1.00 21.21 H new ATOM 0 HD11 LEU A 22 4.449 -2.686 1.830 1.00 54.15 H new ATOM 0 HD12 LEU A 22 6.124 -2.087 1.805 1.00 54.15 H new ATOM 0 HD13 LEU A 22 4.835 -1.159 1.002 1.00 54.15 H new ATOM 0 HD21 LEU A 22 3.424 -3.630 -0.215 1.00 44.21 H new ATOM 0 HD22 LEU A 22 3.761 -2.146 -1.137 1.00 44.21 H new ATOM 0 HD23 LEU A 22 4.352 -3.716 -1.731 1.00 44.21 H new ATOM 332 N PRO A 23 7.389 -1.028 -3.716 1.00 52.33 N ATOM 333 CA PRO A 23 8.226 0.031 -4.315 1.00 73.52 C ATOM 334 C PRO A 23 8.968 0.851 -3.242 1.00 21.33 C ATOM 335 O PRO A 23 8.649 0.765 -2.054 1.00 33.21 O ATOM 336 CB PRO A 23 7.218 0.917 -5.069 1.00 30.12 C ATOM 337 CG PRO A 23 6.000 0.066 -5.239 1.00 22.35 C ATOM 338 CD PRO A 23 5.963 -0.850 -4.046 1.00 42.21 C ATOM 0 HA PRO A 23 9.004 -0.380 -4.959 1.00 73.52 H new ATOM 0 HB2 PRO A 23 6.991 1.822 -4.506 1.00 30.12 H new ATOM 0 HB3 PRO A 23 7.616 1.233 -6.033 1.00 30.12 H new ATOM 0 HG2 PRO A 23 5.100 0.679 -5.288 1.00 22.35 H new ATOM 0 HG3 PRO A 23 6.049 -0.504 -6.167 1.00 22.35 H new ATOM 0 HD2 PRO A 23 5.409 -0.410 -3.217 1.00 42.21 H new ATOM 0 HD3 PRO A 23 5.482 -1.799 -4.282 1.00 42.21 H new ATOM 346 N ALA A 24 9.952 1.644 -3.654 1.00 15.04 N ATOM 347 CA ALA A 24 10.756 2.426 -2.706 1.00 62.45 C ATOM 348 C ALA A 24 9.998 3.662 -2.187 1.00 21.51 C ATOM 349 O ALA A 24 9.678 3.758 -0.999 1.00 60.42 O ATOM 350 CB ALA A 24 12.073 2.843 -3.356 1.00 42.50 C ATOM 0 H ALA A 24 10.215 1.766 -4.632 1.00 15.04 H new ATOM 0 HA ALA A 24 10.963 1.790 -1.846 1.00 62.45 H new ATOM 0 HB1 ALA A 24 12.662 3.422 -2.645 1.00 42.50 H new ATOM 0 HB2 ALA A 24 12.631 1.954 -3.650 1.00 42.50 H new ATOM 0 HB3 ALA A 24 11.867 3.451 -4.237 1.00 42.50 H new ATOM 356 N ASN A 25 9.704 4.598 -3.085 1.00 35.32 N ATOM 357 CA ASN A 25 9.069 5.870 -2.712 1.00 64.25 C ATOM 358 C ASN A 25 7.544 5.723 -2.547 1.00 53.31 C ATOM 359 O ASN A 25 6.763 6.288 -3.316 1.00 51.24 O ATOM 360 CB ASN A 25 9.390 6.943 -3.762 1.00 21.41 C ATOM 361 CG ASN A 25 10.882 7.166 -3.939 1.00 21.23 C ATOM 362 OD1 ASN A 25 11.689 6.262 -3.762 1.00 70.44 O ATOM 363 ND2 ASN A 25 11.266 8.371 -4.304 1.00 1.51 N ATOM 0 H ASN A 25 9.894 4.504 -4.083 1.00 35.32 H new ATOM 0 HA ASN A 25 9.474 6.174 -1.747 1.00 64.25 H new ATOM 0 HB2 ASN A 25 8.955 6.651 -4.718 1.00 21.41 H new ATOM 0 HB3 ASN A 25 8.919 7.882 -3.471 1.00 21.41 H new ATOM 0 HD21 ASN A 25 12.256 8.569 -4.446 1.00 1.51 H new ATOM 0 HD22 ASN A 25 10.573 9.106 -4.445 1.00 1.51 H new ATOM 370 N LEU A 26 7.129 4.979 -1.520 1.00 3.52 N ATOM 371 CA LEU A 26 5.708 4.682 -1.281 1.00 42.20 C ATOM 372 C LEU A 26 4.855 5.952 -1.092 1.00 45.44 C ATOM 373 O LEU A 26 3.832 6.120 -1.754 1.00 72.12 O ATOM 374 CB LEU A 26 5.557 3.765 -0.058 1.00 13.13 C ATOM 375 CG LEU A 26 6.160 2.361 -0.218 1.00 43.23 C ATOM 376 CD1 LEU A 26 6.038 1.564 1.079 1.00 43.14 C ATOM 377 CD2 LEU A 26 5.488 1.618 -1.372 1.00 44.31 C ATOM 0 H LEU A 26 7.760 4.566 -0.833 1.00 3.52 H new ATOM 0 HA LEU A 26 5.338 4.176 -2.173 1.00 42.20 H new ATOM 0 HB2 LEU A 26 6.025 4.249 0.799 1.00 13.13 H new ATOM 0 HB3 LEU A 26 4.496 3.664 0.172 1.00 13.13 H new ATOM 0 HG LEU A 26 7.220 2.470 -0.448 1.00 43.23 H new ATOM 0 HD11 LEU A 26 6.472 0.574 0.940 1.00 43.14 H new ATOM 0 HD12 LEU A 26 6.568 2.084 1.877 1.00 43.14 H new ATOM 0 HD13 LEU A 26 4.986 1.465 1.347 1.00 43.14 H new ATOM 0 HD21 LEU A 26 5.928 0.625 -1.471 1.00 44.31 H new ATOM 0 HD22 LEU A 26 4.421 1.524 -1.172 1.00 44.31 H new ATOM 0 HD23 LEU A 26 5.636 2.174 -2.298 1.00 44.31 H new ATOM 389 N ASP A 27 5.274 6.843 -0.192 1.00 13.42 N ATOM 390 CA ASP A 27 4.506 8.063 0.091 1.00 34.13 C ATOM 391 C ASP A 27 4.590 9.069 -1.072 1.00 52.10 C ATOM 392 O ASP A 27 3.787 10.001 -1.166 1.00 35.14 O ATOM 393 CB ASP A 27 4.983 8.702 1.401 1.00 54.03 C ATOM 394 CG ASP A 27 4.118 9.883 1.816 1.00 43.25 C ATOM 395 OD1 ASP A 27 2.935 9.672 2.163 1.00 71.41 O ATOM 396 OD2 ASP A 27 4.611 11.026 1.794 1.00 4.23 O ATOM 0 H ASP A 27 6.132 6.747 0.351 1.00 13.42 H new ATOM 0 HA ASP A 27 3.459 7.781 0.201 1.00 34.13 H new ATOM 0 HB2 ASP A 27 4.975 7.953 2.192 1.00 54.03 H new ATOM 0 HB3 ASP A 27 6.015 9.033 1.286 1.00 54.03 H new ATOM 401 N ASP A 28 5.564 8.884 -1.952 1.00 5.00 N ATOM 402 CA ASP A 28 5.675 9.707 -3.157 1.00 73.15 C ATOM 403 C ASP A 28 4.713 9.216 -4.249 1.00 4.25 C ATOM 404 O ASP A 28 4.307 9.984 -5.124 1.00 23.45 O ATOM 405 CB ASP A 28 7.111 9.702 -3.669 1.00 53.44 C ATOM 406 CG ASP A 28 8.067 10.333 -2.674 1.00 45.11 C ATOM 407 OD1 ASP A 28 8.503 9.639 -1.736 1.00 73.05 O ATOM 408 OD2 ASP A 28 8.381 11.537 -2.826 1.00 0.22 O ATOM 0 H ASP A 28 6.290 8.173 -1.858 1.00 5.00 H new ATOM 0 HA ASP A 28 5.398 10.729 -2.899 1.00 73.15 H new ATOM 0 HB2 ASP A 28 7.421 8.677 -3.871 1.00 53.44 H new ATOM 0 HB3 ASP A 28 7.162 10.242 -4.614 1.00 53.44 H new ATOM 413 N MET A 29 4.358 7.934 -4.190 1.00 53.50 N ATOM 414 CA MET A 29 3.347 7.372 -5.087 1.00 33.34 C ATOM 415 C MET A 29 1.961 7.956 -4.772 1.00 73.11 C ATOM 416 O MET A 29 1.596 8.141 -3.607 1.00 25.41 O ATOM 417 CB MET A 29 3.318 5.842 -4.969 1.00 51.32 C ATOM 418 CG MET A 29 4.614 5.166 -5.402 1.00 65.14 C ATOM 419 SD MET A 29 4.559 3.371 -5.216 1.00 4.04 S ATOM 420 CE MET A 29 3.196 2.949 -6.303 1.00 11.33 C ATOM 0 H MET A 29 4.755 7.264 -3.531 1.00 53.50 H new ATOM 0 HA MET A 29 3.610 7.638 -6.111 1.00 33.34 H new ATOM 0 HB2 MET A 29 3.106 5.571 -3.935 1.00 51.32 H new ATOM 0 HB3 MET A 29 2.498 5.456 -5.574 1.00 51.32 H new ATOM 0 HG2 MET A 29 4.817 5.413 -6.444 1.00 65.14 H new ATOM 0 HG3 MET A 29 5.441 5.563 -4.813 1.00 65.14 H new ATOM 0 HE1 MET A 29 3.260 1.895 -6.574 1.00 11.33 H new ATOM 0 HE2 MET A 29 2.252 3.136 -5.792 1.00 11.33 H new ATOM 0 HE3 MET A 29 3.247 3.559 -7.205 1.00 11.33 H new ATOM 430 N LYS A 30 1.195 8.243 -5.815 1.00 12.43 N ATOM 431 CA LYS A 30 -0.116 8.873 -5.660 1.00 23.11 C ATOM 432 C LYS A 30 -1.114 7.945 -4.948 1.00 34.32 C ATOM 433 O LYS A 30 -1.015 6.718 -5.035 1.00 72.13 O ATOM 434 CB LYS A 30 -0.649 9.291 -7.035 1.00 13.33 C ATOM 435 CG LYS A 30 0.232 10.330 -7.727 1.00 64.53 C ATOM 436 CD LYS A 30 -0.208 10.598 -9.163 1.00 72.23 C ATOM 437 CE LYS A 30 -0.065 9.357 -10.037 1.00 73.50 C ATOM 438 NZ LYS A 30 -0.424 9.633 -11.451 1.00 63.43 N ATOM 0 H LYS A 30 1.457 8.050 -6.782 1.00 12.43 H new ATOM 0 HA LYS A 30 0.001 9.757 -5.033 1.00 23.11 H new ATOM 0 HB2 LYS A 30 -0.729 8.409 -7.671 1.00 13.33 H new ATOM 0 HB3 LYS A 30 -1.655 9.694 -6.921 1.00 13.33 H new ATOM 0 HG2 LYS A 30 0.205 11.261 -7.161 1.00 64.53 H new ATOM 0 HG3 LYS A 30 1.266 9.986 -7.724 1.00 64.53 H new ATOM 0 HD2 LYS A 30 -1.246 10.930 -9.170 1.00 72.23 H new ATOM 0 HD3 LYS A 30 0.389 11.409 -9.581 1.00 72.23 H new ATOM 0 HE2 LYS A 30 0.961 8.994 -9.987 1.00 73.50 H new ATOM 0 HE3 LYS A 30 -0.703 8.563 -9.648 1.00 73.50 H new ATOM 0 HZ1 LYS A 30 -0.314 8.765 -12.013 1.00 63.43 H new ATOM 0 HZ2 LYS A 30 -1.411 9.955 -11.502 1.00 63.43 H new ATOM 0 HZ3 LYS A 30 0.202 10.372 -11.830 1.00 63.43 H new ATOM 452 N VAL A 31 -2.081 8.546 -4.254 1.00 15.44 N ATOM 453 CA VAL A 31 -3.070 7.798 -3.464 1.00 14.22 C ATOM 454 C VAL A 31 -3.720 6.655 -4.271 1.00 13.44 C ATOM 455 O VAL A 31 -3.886 5.539 -3.769 1.00 74.54 O ATOM 456 CB VAL A 31 -4.171 8.746 -2.925 1.00 62.42 C ATOM 457 CG1 VAL A 31 -5.134 8.003 -2.003 1.00 74.32 C ATOM 458 CG2 VAL A 31 -3.550 9.944 -2.207 1.00 31.13 C ATOM 0 H VAL A 31 -2.204 9.558 -4.221 1.00 15.44 H new ATOM 0 HA VAL A 31 -2.531 7.352 -2.628 1.00 14.22 H new ATOM 0 HB VAL A 31 -4.741 9.116 -3.777 1.00 62.42 H new ATOM 0 HG11 VAL A 31 -5.896 8.693 -1.640 1.00 74.32 H new ATOM 0 HG12 VAL A 31 -5.612 7.192 -2.553 1.00 74.32 H new ATOM 0 HG13 VAL A 31 -4.583 7.592 -1.157 1.00 74.32 H new ATOM 0 HG21 VAL A 31 -4.341 10.596 -1.837 1.00 31.13 H new ATOM 0 HG22 VAL A 31 -2.947 9.594 -1.369 1.00 31.13 H new ATOM 0 HG23 VAL A 31 -2.919 10.498 -2.902 1.00 31.13 H new ATOM 468 N ALA A 32 -4.066 6.934 -5.525 1.00 51.30 N ATOM 469 CA ALA A 32 -4.654 5.922 -6.411 1.00 13.32 C ATOM 470 C ALA A 32 -3.682 4.758 -6.676 1.00 44.11 C ATOM 471 O ALA A 32 -4.092 3.598 -6.746 1.00 12.15 O ATOM 472 CB ALA A 32 -5.090 6.559 -7.725 1.00 53.15 C ATOM 0 H ALA A 32 -3.951 7.852 -5.955 1.00 51.30 H new ATOM 0 HA ALA A 32 -5.528 5.510 -5.906 1.00 13.32 H new ATOM 0 HB1 ALA A 32 -5.524 5.797 -8.372 1.00 53.15 H new ATOM 0 HB2 ALA A 32 -5.832 7.332 -7.526 1.00 53.15 H new ATOM 0 HB3 ALA A 32 -4.226 7.004 -8.218 1.00 53.15 H new ATOM 478 N GLU A 33 -2.388 5.072 -6.808 1.00 55.33 N ATOM 479 CA GLU A 33 -1.362 4.047 -7.044 1.00 71.22 C ATOM 480 C GLU A 33 -1.252 3.090 -5.850 1.00 13.34 C ATOM 481 O GLU A 33 -1.105 1.875 -6.020 1.00 13.25 O ATOM 482 CB GLU A 33 0.006 4.693 -7.319 1.00 41.44 C ATOM 483 CG GLU A 33 0.024 5.612 -8.533 1.00 24.44 C ATOM 484 CD GLU A 33 1.431 6.050 -8.912 1.00 43.01 C ATOM 485 OE1 GLU A 33 2.095 5.322 -9.684 1.00 70.51 O ATOM 486 OE2 GLU A 33 1.880 7.116 -8.442 1.00 75.31 O ATOM 0 H GLU A 33 -2.026 6.024 -6.756 1.00 55.33 H new ATOM 0 HA GLU A 33 -1.666 3.477 -7.922 1.00 71.22 H new ATOM 0 HB2 GLU A 33 0.311 5.262 -6.441 1.00 41.44 H new ATOM 0 HB3 GLU A 33 0.746 3.906 -7.461 1.00 41.44 H new ATOM 0 HG2 GLU A 33 -0.434 5.100 -9.379 1.00 24.44 H new ATOM 0 HG3 GLU A 33 -0.584 6.493 -8.327 1.00 24.44 H new ATOM 493 N LEU A 34 -1.329 3.647 -4.644 1.00 31.52 N ATOM 494 CA LEU A 34 -1.315 2.842 -3.416 1.00 63.33 C ATOM 495 C LEU A 34 -2.523 1.894 -3.368 1.00 54.45 C ATOM 496 O LEU A 34 -2.385 0.707 -3.071 1.00 65.11 O ATOM 497 CB LEU A 34 -1.316 3.756 -2.181 1.00 45.43 C ATOM 498 CG LEU A 34 -0.122 4.720 -2.075 1.00 72.12 C ATOM 499 CD1 LEU A 34 -0.240 5.590 -0.827 1.00 4.02 C ATOM 500 CD2 LEU A 34 1.199 3.948 -2.077 1.00 61.42 C ATOM 0 H LEU A 34 -1.402 4.652 -4.486 1.00 31.52 H new ATOM 0 HA LEU A 34 -0.405 2.241 -3.415 1.00 63.33 H new ATOM 0 HB2 LEU A 34 -2.235 4.342 -2.184 1.00 45.43 H new ATOM 0 HB3 LEU A 34 -1.338 3.132 -1.288 1.00 45.43 H new ATOM 0 HG LEU A 34 -0.133 5.374 -2.947 1.00 72.12 H new ATOM 0 HD11 LEU A 34 0.615 6.264 -0.771 1.00 4.02 H new ATOM 0 HD12 LEU A 34 -1.160 6.173 -0.875 1.00 4.02 H new ATOM 0 HD13 LEU A 34 -0.259 4.955 0.059 1.00 4.02 H new ATOM 0 HD21 LEU A 34 2.030 4.649 -2.001 1.00 61.42 H new ATOM 0 HD22 LEU A 34 1.222 3.265 -1.228 1.00 61.42 H new ATOM 0 HD23 LEU A 34 1.287 3.380 -3.003 1.00 61.42 H new ATOM 512 N LYS A 35 -3.701 2.428 -3.677 1.00 60.13 N ATOM 513 CA LYS A 35 -4.929 1.624 -3.728 1.00 20.14 C ATOM 514 C LYS A 35 -4.859 0.552 -4.830 1.00 1.11 C ATOM 515 O LYS A 35 -5.418 -0.538 -4.689 1.00 54.00 O ATOM 516 CB LYS A 35 -6.143 2.536 -3.950 1.00 71.12 C ATOM 517 CG LYS A 35 -6.354 3.547 -2.827 1.00 40.32 C ATOM 518 CD LYS A 35 -7.527 4.480 -3.106 1.00 32.45 C ATOM 519 CE LYS A 35 -7.736 5.470 -1.966 1.00 12.24 C ATOM 520 NZ LYS A 35 -8.809 6.455 -2.264 1.00 20.31 N ATOM 0 H LYS A 35 -3.836 3.415 -3.897 1.00 60.13 H new ATOM 0 HA LYS A 35 -5.034 1.109 -2.773 1.00 20.14 H new ATOM 0 HB2 LYS A 35 -6.019 3.071 -4.892 1.00 71.12 H new ATOM 0 HB3 LYS A 35 -7.037 1.921 -4.048 1.00 71.12 H new ATOM 0 HG2 LYS A 35 -6.528 3.017 -1.891 1.00 40.32 H new ATOM 0 HG3 LYS A 35 -5.446 4.136 -2.695 1.00 40.32 H new ATOM 0 HD2 LYS A 35 -7.348 5.024 -4.034 1.00 32.45 H new ATOM 0 HD3 LYS A 35 -8.434 3.893 -3.251 1.00 32.45 H new ATOM 0 HE2 LYS A 35 -7.988 4.925 -1.056 1.00 12.24 H new ATOM 0 HE3 LYS A 35 -6.803 6.000 -1.772 1.00 12.24 H new ATOM 0 HZ1 LYS A 35 -8.915 7.107 -1.461 1.00 20.31 H new ATOM 0 HZ2 LYS A 35 -8.558 6.995 -3.117 1.00 20.31 H new ATOM 0 HZ3 LYS A 35 -9.706 5.954 -2.423 1.00 20.31 H new ATOM 534 N GLN A 36 -4.165 0.869 -5.927 1.00 74.14 N ATOM 535 CA GLN A 36 -3.960 -0.086 -7.023 1.00 14.30 C ATOM 536 C GLN A 36 -3.153 -1.303 -6.540 1.00 30.20 C ATOM 537 O GLN A 36 -3.470 -2.443 -6.875 1.00 35.33 O ATOM 538 CB GLN A 36 -3.263 0.619 -8.205 1.00 21.54 C ATOM 539 CG GLN A 36 -3.185 -0.200 -9.500 1.00 40.32 C ATOM 540 CD GLN A 36 -1.958 -1.100 -9.589 1.00 60.21 C ATOM 541 OE1 GLN A 36 -0.909 -0.801 -9.027 1.00 54.51 O ATOM 542 NE2 GLN A 36 -2.070 -2.194 -10.316 1.00 51.44 N ATOM 0 H GLN A 36 -3.735 1.781 -6.081 1.00 74.14 H new ATOM 0 HA GLN A 36 -4.929 -0.452 -7.364 1.00 14.30 H new ATOM 0 HB2 GLN A 36 -3.790 1.550 -8.414 1.00 21.54 H new ATOM 0 HB3 GLN A 36 -2.251 0.887 -7.902 1.00 21.54 H new ATOM 0 HG2 GLN A 36 -4.081 -0.815 -9.584 1.00 40.32 H new ATOM 0 HG3 GLN A 36 -3.186 0.482 -10.350 1.00 40.32 H new ATOM 0 HE21 GLN A 36 -2.956 -2.416 -10.771 1.00 51.44 H new ATOM 0 HE22 GLN A 36 -1.271 -2.819 -10.423 1.00 51.44 H new ATOM 551 N GLU A 37 -2.124 -1.055 -5.735 1.00 4.03 N ATOM 552 CA GLU A 37 -1.352 -2.137 -5.106 1.00 23.15 C ATOM 553 C GLU A 37 -2.198 -2.909 -4.074 1.00 51.51 C ATOM 554 O GLU A 37 -2.210 -4.141 -4.060 1.00 14.15 O ATOM 555 CB GLU A 37 -0.093 -1.568 -4.433 1.00 61.13 C ATOM 556 CG GLU A 37 1.079 -1.341 -5.387 1.00 22.42 C ATOM 557 CD GLU A 37 1.612 -2.643 -5.973 1.00 54.11 C ATOM 558 OE1 GLU A 37 1.811 -3.605 -5.205 1.00 34.53 O ATOM 559 OE2 GLU A 37 1.843 -2.709 -7.197 1.00 32.45 O ATOM 0 H GLU A 37 -1.801 -0.117 -5.499 1.00 4.03 H new ATOM 0 HA GLU A 37 -1.058 -2.835 -5.890 1.00 23.15 H new ATOM 0 HB2 GLU A 37 -0.346 -0.622 -3.955 1.00 61.13 H new ATOM 0 HB3 GLU A 37 0.223 -2.250 -3.643 1.00 61.13 H new ATOM 0 HG2 GLU A 37 0.762 -0.684 -6.197 1.00 22.42 H new ATOM 0 HG3 GLU A 37 1.882 -0.829 -4.856 1.00 22.42 H new ATOM 566 N LEU A 38 -2.902 -2.174 -3.216 1.00 60.51 N ATOM 567 CA LEU A 38 -3.753 -2.778 -2.180 1.00 32.41 C ATOM 568 C LEU A 38 -4.758 -3.789 -2.760 1.00 0.44 C ATOM 569 O LEU A 38 -4.829 -4.933 -2.303 1.00 42.00 O ATOM 570 CB LEU A 38 -4.506 -1.682 -1.419 1.00 52.34 C ATOM 571 CG LEU A 38 -3.653 -0.817 -0.478 1.00 3.31 C ATOM 572 CD1 LEU A 38 -4.463 0.359 0.040 1.00 64.11 C ATOM 573 CD2 LEU A 38 -3.119 -1.647 0.688 1.00 24.41 C ATOM 0 H LEU A 38 -2.903 -1.154 -3.214 1.00 60.51 H new ATOM 0 HA LEU A 38 -3.096 -3.323 -1.501 1.00 32.41 H new ATOM 0 HB2 LEU A 38 -4.990 -1.028 -2.145 1.00 52.34 H new ATOM 0 HB3 LEU A 38 -5.298 -2.150 -0.834 1.00 52.34 H new ATOM 0 HG LEU A 38 -2.803 -0.435 -1.044 1.00 3.31 H new ATOM 0 HD11 LEU A 38 -3.845 0.962 0.705 1.00 64.11 H new ATOM 0 HD12 LEU A 38 -4.795 0.970 -0.799 1.00 64.11 H new ATOM 0 HD13 LEU A 38 -5.331 -0.010 0.587 1.00 64.11 H new ATOM 0 HD21 LEU A 38 -2.518 -1.013 1.341 1.00 24.41 H new ATOM 0 HD22 LEU A 38 -3.954 -2.061 1.253 1.00 24.41 H new ATOM 0 HD23 LEU A 38 -2.503 -2.460 0.304 1.00 24.41 H new ATOM 585 N LYS A 39 -5.527 -3.369 -3.768 1.00 72.42 N ATOM 586 CA LYS A 39 -6.557 -4.235 -4.366 1.00 11.11 C ATOM 587 C LYS A 39 -5.954 -5.537 -4.924 1.00 10.30 C ATOM 588 O LYS A 39 -6.532 -6.613 -4.767 1.00 12.24 O ATOM 589 CB LYS A 39 -7.327 -3.487 -5.463 1.00 25.03 C ATOM 590 CG LYS A 39 -6.474 -3.057 -6.652 1.00 53.45 C ATOM 591 CD LYS A 39 -7.301 -2.344 -7.720 1.00 51.31 C ATOM 592 CE LYS A 39 -7.999 -1.104 -7.168 1.00 23.34 C ATOM 593 NZ LYS A 39 -8.794 -0.405 -8.211 1.00 0.01 N ATOM 0 H LYS A 39 -5.460 -2.442 -4.188 1.00 72.42 H new ATOM 0 HA LYS A 39 -7.254 -4.506 -3.573 1.00 11.11 H new ATOM 0 HB2 LYS A 39 -8.134 -4.125 -5.823 1.00 25.03 H new ATOM 0 HB3 LYS A 39 -7.791 -2.603 -5.026 1.00 25.03 H new ATOM 0 HG2 LYS A 39 -5.679 -2.396 -6.308 1.00 53.45 H new ATOM 0 HG3 LYS A 39 -5.994 -3.932 -7.089 1.00 53.45 H new ATOM 0 HD2 LYS A 39 -6.654 -2.057 -8.549 1.00 51.31 H new ATOM 0 HD3 LYS A 39 -8.046 -3.031 -8.121 1.00 51.31 H new ATOM 0 HE2 LYS A 39 -8.653 -1.392 -6.345 1.00 23.34 H new ATOM 0 HE3 LYS A 39 -7.255 -0.420 -6.760 1.00 23.34 H new ATOM 0 HZ1 LYS A 39 -9.252 0.431 -7.796 1.00 0.01 H new ATOM 0 HZ2 LYS A 39 -8.166 -0.108 -8.985 1.00 0.01 H new ATOM 0 HZ3 LYS A 39 -9.521 -1.049 -8.583 1.00 0.01 H new ATOM 607 N LEU A 40 -4.784 -5.437 -5.560 1.00 54.55 N ATOM 608 CA LEU A 40 -4.077 -6.619 -6.079 1.00 4.43 C ATOM 609 C LEU A 40 -3.747 -7.603 -4.948 1.00 42.24 C ATOM 610 O LEU A 40 -3.690 -8.817 -5.151 1.00 35.23 O ATOM 611 CB LEU A 40 -2.774 -6.200 -6.776 1.00 14.24 C ATOM 612 CG LEU A 40 -2.932 -5.279 -7.995 1.00 1.54 C ATOM 613 CD1 LEU A 40 -1.566 -4.902 -8.563 1.00 22.14 C ATOM 614 CD2 LEU A 40 -3.794 -5.941 -9.067 1.00 51.32 C ATOM 0 H LEU A 40 -4.304 -4.553 -5.730 1.00 54.55 H new ATOM 0 HA LEU A 40 -4.735 -7.110 -6.796 1.00 4.43 H new ATOM 0 HB2 LEU A 40 -2.139 -5.698 -6.046 1.00 14.24 H new ATOM 0 HB3 LEU A 40 -2.247 -7.101 -7.091 1.00 14.24 H new ATOM 0 HG LEU A 40 -3.434 -4.368 -7.670 1.00 1.54 H new ATOM 0 HD11 LEU A 40 -1.698 -4.249 -9.426 1.00 22.14 H new ATOM 0 HD12 LEU A 40 -0.986 -4.382 -7.801 1.00 22.14 H new ATOM 0 HD13 LEU A 40 -1.037 -5.805 -8.869 1.00 22.14 H new ATOM 0 HD21 LEU A 40 -3.892 -5.270 -9.921 1.00 51.32 H new ATOM 0 HD22 LEU A 40 -3.325 -6.871 -9.388 1.00 51.32 H new ATOM 0 HD23 LEU A 40 -4.782 -6.155 -8.659 1.00 51.32 H new ATOM 626 N ARG A 41 -3.545 -7.060 -3.753 1.00 44.24 N ATOM 627 CA ARG A 41 -3.133 -7.848 -2.587 1.00 34.11 C ATOM 628 C ARG A 41 -4.323 -8.176 -1.671 1.00 31.35 C ATOM 629 O ARG A 41 -4.133 -8.598 -0.529 1.00 64.14 O ATOM 630 CB ARG A 41 -2.069 -7.061 -1.813 1.00 23.34 C ATOM 631 CG ARG A 41 -0.914 -6.599 -2.695 1.00 74.31 C ATOM 632 CD ARG A 41 0.043 -5.670 -1.959 1.00 20.23 C ATOM 633 NE ARG A 41 1.116 -5.201 -2.834 1.00 63.14 N ATOM 634 CZ ARG A 41 2.365 -5.573 -2.730 1.00 73.54 C ATOM 635 NH1 ARG A 41 2.731 -6.377 -1.783 1.00 72.25 N ATOM 636 NH2 ARG A 41 3.242 -5.140 -3.573 1.00 72.03 N ATOM 0 H ARG A 41 -3.660 -6.065 -3.561 1.00 44.24 H new ATOM 0 HA ARG A 41 -2.724 -8.797 -2.933 1.00 34.11 H new ATOM 0 HB2 ARG A 41 -2.534 -6.192 -1.347 1.00 23.34 H new ATOM 0 HB3 ARG A 41 -1.678 -7.683 -1.008 1.00 23.34 H new ATOM 0 HG2 ARG A 41 -0.366 -7.469 -3.056 1.00 74.31 H new ATOM 0 HG3 ARG A 41 -1.312 -6.087 -3.571 1.00 74.31 H new ATOM 0 HD2 ARG A 41 -0.508 -4.815 -1.567 1.00 20.23 H new ATOM 0 HD3 ARG A 41 0.472 -6.192 -1.104 1.00 20.23 H new ATOM 0 HE ARG A 41 0.875 -4.541 -3.573 1.00 63.14 H new ATOM 0 HH11 ARG A 41 2.043 -6.723 -1.114 1.00 72.25 H new ATOM 0 HH12 ARG A 41 3.707 -6.664 -1.706 1.00 72.25 H new ATOM 0 HH21 ARG A 41 2.961 -4.507 -4.321 1.00 72.03 H new ATOM 0 HH22 ARG A 41 4.216 -5.431 -3.490 1.00 72.03 H new ATOM 650 N SER A 42 -5.543 -7.976 -2.182 1.00 44.33 N ATOM 651 CA SER A 42 -6.783 -8.265 -1.430 1.00 72.10 C ATOM 652 C SER A 42 -6.925 -7.370 -0.189 1.00 23.42 C ATOM 653 O SER A 42 -7.695 -7.670 0.728 1.00 72.43 O ATOM 654 CB SER A 42 -6.837 -9.746 -1.014 1.00 3.42 C ATOM 655 OG SER A 42 -6.759 -10.608 -2.142 1.00 25.33 O ATOM 0 H SER A 42 -5.705 -7.612 -3.121 1.00 44.33 H new ATOM 0 HA SER A 42 -7.617 -8.049 -2.098 1.00 72.10 H new ATOM 0 HB2 SER A 42 -6.015 -9.963 -0.331 1.00 3.42 H new ATOM 0 HB3 SER A 42 -7.762 -9.939 -0.471 1.00 3.42 H new ATOM 0 HG SER A 42 -6.794 -11.541 -1.844 1.00 25.33 H new ATOM 661 N LEU A 43 -6.200 -6.259 -0.185 1.00 13.13 N ATOM 662 CA LEU A 43 -6.206 -5.312 0.937 1.00 31.44 C ATOM 663 C LEU A 43 -7.277 -4.220 0.753 1.00 62.05 C ATOM 664 O LEU A 43 -7.577 -3.821 -0.377 1.00 41.33 O ATOM 665 CB LEU A 43 -4.818 -4.666 1.059 1.00 31.24 C ATOM 666 CG LEU A 43 -3.687 -5.614 1.494 1.00 45.43 C ATOM 667 CD1 LEU A 43 -2.321 -4.975 1.255 1.00 10.11 C ATOM 668 CD2 LEU A 43 -3.841 -5.985 2.964 1.00 21.11 C ATOM 0 H LEU A 43 -5.590 -5.984 -0.955 1.00 13.13 H new ATOM 0 HA LEU A 43 -6.447 -5.861 1.848 1.00 31.44 H new ATOM 0 HB2 LEU A 43 -4.553 -4.229 0.096 1.00 31.24 H new ATOM 0 HB3 LEU A 43 -4.879 -3.847 1.775 1.00 31.24 H new ATOM 0 HG LEU A 43 -3.754 -6.520 0.892 1.00 45.43 H new ATOM 0 HD11 LEU A 43 -1.537 -5.664 1.570 1.00 10.11 H new ATOM 0 HD12 LEU A 43 -2.204 -4.753 0.194 1.00 10.11 H new ATOM 0 HD13 LEU A 43 -2.246 -4.052 1.830 1.00 10.11 H new ATOM 0 HD21 LEU A 43 -3.033 -6.656 3.256 1.00 21.11 H new ATOM 0 HD22 LEU A 43 -3.801 -5.082 3.573 1.00 21.11 H new ATOM 0 HD23 LEU A 43 -4.799 -6.483 3.115 1.00 21.11 H new ATOM 680 N PRO A 44 -7.887 -3.735 1.857 1.00 53.13 N ATOM 681 CA PRO A 44 -8.843 -2.610 1.801 1.00 31.33 C ATOM 682 C PRO A 44 -8.222 -1.335 1.189 1.00 10.43 C ATOM 683 O PRO A 44 -7.113 -0.933 1.555 1.00 74.13 O ATOM 684 CB PRO A 44 -9.217 -2.378 3.274 1.00 2.54 C ATOM 685 CG PRO A 44 -8.900 -3.663 3.964 1.00 0.42 C ATOM 686 CD PRO A 44 -7.728 -4.259 3.229 1.00 75.42 C ATOM 0 HA PRO A 44 -9.698 -2.838 1.165 1.00 31.33 H new ATOM 0 HB2 PRO A 44 -8.648 -1.551 3.700 1.00 2.54 H new ATOM 0 HB3 PRO A 44 -10.272 -2.125 3.377 1.00 2.54 H new ATOM 0 HG2 PRO A 44 -8.655 -3.491 5.012 1.00 0.42 H new ATOM 0 HG3 PRO A 44 -9.756 -4.337 3.943 1.00 0.42 H new ATOM 0 HD2 PRO A 44 -6.779 -3.953 3.669 1.00 75.42 H new ATOM 0 HD3 PRO A 44 -7.752 -5.349 3.249 1.00 75.42 H new ATOM 694 N VAL A 45 -8.950 -0.690 0.273 1.00 20.24 N ATOM 695 CA VAL A 45 -8.428 0.478 -0.460 1.00 72.12 C ATOM 696 C VAL A 45 -9.040 1.805 0.029 1.00 0.41 C ATOM 697 O VAL A 45 -8.542 2.884 -0.290 1.00 24.53 O ATOM 698 CB VAL A 45 -8.689 0.337 -1.983 1.00 43.14 C ATOM 699 CG1 VAL A 45 -7.990 -0.903 -2.540 1.00 50.54 C ATOM 700 CG2 VAL A 45 -10.189 0.294 -2.277 1.00 71.43 C ATOM 0 H VAL A 45 -9.902 -0.953 0.018 1.00 20.24 H new ATOM 0 HA VAL A 45 -7.356 0.504 -0.265 1.00 72.12 H new ATOM 0 HB VAL A 45 -8.273 1.213 -2.480 1.00 43.14 H new ATOM 0 HG11 VAL A 45 -8.187 -0.982 -3.609 1.00 50.54 H new ATOM 0 HG12 VAL A 45 -6.916 -0.821 -2.374 1.00 50.54 H new ATOM 0 HG13 VAL A 45 -8.368 -1.792 -2.035 1.00 50.54 H new ATOM 0 HG21 VAL A 45 -10.347 0.195 -3.351 1.00 71.43 H new ATOM 0 HG22 VAL A 45 -10.636 -0.558 -1.765 1.00 71.43 H new ATOM 0 HG23 VAL A 45 -10.655 1.214 -1.925 1.00 71.43 H new ATOM 710 N SER A 46 -10.108 1.721 0.817 1.00 14.24 N ATOM 711 CA SER A 46 -10.855 2.915 1.265 1.00 65.43 C ATOM 712 C SER A 46 -10.246 3.563 2.521 1.00 30.42 C ATOM 713 O SER A 46 -10.967 4.077 3.380 1.00 64.20 O ATOM 714 CB SER A 46 -12.319 2.537 1.530 1.00 21.52 C ATOM 715 OG SER A 46 -12.412 1.468 2.462 1.00 2.50 O ATOM 0 H SER A 46 -10.485 0.839 1.165 1.00 14.24 H new ATOM 0 HA SER A 46 -10.794 3.653 0.465 1.00 65.43 H new ATOM 0 HB2 SER A 46 -12.858 3.404 1.912 1.00 21.52 H new ATOM 0 HB3 SER A 46 -12.799 2.250 0.594 1.00 21.52 H new ATOM 0 HG SER A 46 -13.355 1.248 2.614 1.00 2.50 H new ATOM 721 N GLY A 47 -8.918 3.568 2.611 1.00 11.22 N ATOM 722 CA GLY A 47 -8.235 4.204 3.739 1.00 53.22 C ATOM 723 C GLY A 47 -7.520 5.498 3.350 1.00 61.31 C ATOM 724 O GLY A 47 -7.463 5.856 2.169 1.00 21.21 O ATOM 0 H GLY A 47 -8.296 3.143 1.923 1.00 11.22 H new ATOM 0 HA2 GLY A 47 -8.961 4.418 4.523 1.00 53.22 H new ATOM 0 HA3 GLY A 47 -7.510 3.506 4.158 1.00 53.22 H new ATOM 728 N THR A 48 -6.974 6.206 4.339 1.00 73.44 N ATOM 729 CA THR A 48 -6.219 7.445 4.078 1.00 44.52 C ATOM 730 C THR A 48 -4.780 7.144 3.639 1.00 43.41 C ATOM 731 O THR A 48 -4.277 6.042 3.861 1.00 63.30 O ATOM 732 CB THR A 48 -6.174 8.375 5.318 1.00 62.25 C ATOM 733 OG1 THR A 48 -5.461 7.741 6.393 1.00 2.12 O ATOM 734 CG2 THR A 48 -7.581 8.733 5.787 1.00 74.31 C ATOM 0 H THR A 48 -7.036 5.950 5.324 1.00 73.44 H new ATOM 0 HA THR A 48 -6.749 7.954 3.273 1.00 44.52 H new ATOM 0 HB THR A 48 -5.657 9.290 5.028 1.00 62.25 H new ATOM 0 HG1 THR A 48 -6.044 7.086 6.831 1.00 2.12 H new ATOM 0 HG21 THR A 48 -7.519 9.386 6.658 1.00 74.31 H new ATOM 0 HG22 THR A 48 -8.112 9.246 4.985 1.00 74.31 H new ATOM 0 HG23 THR A 48 -8.118 7.823 6.053 1.00 74.31 H new ATOM 742 N LYS A 49 -4.125 8.137 3.029 1.00 24.10 N ATOM 743 CA LYS A 49 -2.753 7.996 2.498 1.00 70.33 C ATOM 744 C LYS A 49 -1.843 7.135 3.395 1.00 63.32 C ATOM 745 O LYS A 49 -1.332 6.098 2.965 1.00 4.22 O ATOM 746 CB LYS A 49 -2.122 9.386 2.327 1.00 11.50 C ATOM 747 CG LYS A 49 -0.710 9.369 1.739 1.00 4.21 C ATOM 748 CD LYS A 49 -0.708 8.999 0.258 1.00 43.01 C ATOM 749 CE LYS A 49 0.696 9.058 -0.336 1.00 51.14 C ATOM 750 NZ LYS A 49 1.368 10.354 -0.048 1.00 51.21 N ATOM 0 H LYS A 49 -4.526 9.064 2.886 1.00 24.10 H new ATOM 0 HA LYS A 49 -2.837 7.486 1.539 1.00 70.33 H new ATOM 0 HB2 LYS A 49 -2.764 9.987 1.683 1.00 11.50 H new ATOM 0 HB3 LYS A 49 -2.093 9.881 3.298 1.00 11.50 H new ATOM 0 HG2 LYS A 49 -0.253 10.350 1.868 1.00 4.21 H new ATOM 0 HG3 LYS A 49 -0.097 8.657 2.291 1.00 4.21 H new ATOM 0 HD2 LYS A 49 -1.114 7.995 0.133 1.00 43.01 H new ATOM 0 HD3 LYS A 49 -1.363 9.678 -0.288 1.00 43.01 H new ATOM 0 HE2 LYS A 49 1.295 8.241 0.067 1.00 51.14 H new ATOM 0 HE3 LYS A 49 0.640 8.910 -1.414 1.00 51.14 H new ATOM 0 HZ1 LYS A 49 2.167 10.483 -0.701 1.00 51.21 H new ATOM 0 HZ2 LYS A 49 0.689 11.132 -0.173 1.00 51.21 H new ATOM 0 HZ3 LYS A 49 1.718 10.353 0.931 1.00 51.21 H new ATOM 764 N THR A 50 -1.648 7.572 4.639 1.00 15.45 N ATOM 765 CA THR A 50 -0.769 6.869 5.587 1.00 53.31 C ATOM 766 C THR A 50 -1.222 5.418 5.832 1.00 1.23 C ATOM 767 O THR A 50 -0.396 4.506 5.890 1.00 52.13 O ATOM 768 CB THR A 50 -0.693 7.619 6.939 1.00 73.21 C ATOM 769 OG1 THR A 50 -0.261 8.971 6.718 1.00 2.01 O ATOM 770 CG2 THR A 50 0.268 6.931 7.908 1.00 52.52 C ATOM 0 H THR A 50 -2.086 8.411 5.019 1.00 15.45 H new ATOM 0 HA THR A 50 0.221 6.846 5.131 1.00 53.31 H new ATOM 0 HB THR A 50 -1.688 7.612 7.384 1.00 73.21 H new ATOM 0 HG1 THR A 50 -0.215 9.444 7.575 1.00 2.01 H new ATOM 0 HG21 THR A 50 0.297 7.484 8.847 1.00 52.52 H new ATOM 0 HG22 THR A 50 -0.073 5.913 8.097 1.00 52.52 H new ATOM 0 HG23 THR A 50 1.267 6.904 7.472 1.00 52.52 H new ATOM 778 N GLU A 51 -2.534 5.206 5.955 1.00 31.44 N ATOM 779 CA GLU A 51 -3.082 3.863 6.186 1.00 63.14 C ATOM 780 C GLU A 51 -2.768 2.924 5.013 1.00 41.25 C ATOM 781 O GLU A 51 -2.409 1.764 5.213 1.00 50.22 O ATOM 782 CB GLU A 51 -4.600 3.930 6.394 1.00 5.51 C ATOM 783 CG GLU A 51 -5.027 4.719 7.623 1.00 1.44 C ATOM 784 CD GLU A 51 -6.535 4.730 7.800 1.00 4.44 C ATOM 785 OE1 GLU A 51 -7.203 5.600 7.206 1.00 52.15 O ATOM 786 OE2 GLU A 51 -7.060 3.861 8.526 1.00 40.30 O ATOM 0 H GLU A 51 -3.237 5.943 5.899 1.00 31.44 H new ATOM 0 HA GLU A 51 -2.610 3.467 7.085 1.00 63.14 H new ATOM 0 HB2 GLU A 51 -5.057 4.378 5.512 1.00 5.51 H new ATOM 0 HB3 GLU A 51 -4.990 2.915 6.474 1.00 5.51 H new ATOM 0 HG2 GLU A 51 -4.562 4.288 8.509 1.00 1.44 H new ATOM 0 HG3 GLU A 51 -4.665 5.744 7.539 1.00 1.44 H new ATOM 793 N LEU A 52 -2.903 3.440 3.791 1.00 63.33 N ATOM 794 CA LEU A 52 -2.630 2.652 2.581 1.00 70.02 C ATOM 795 C LEU A 52 -1.189 2.114 2.593 1.00 64.21 C ATOM 796 O LEU A 52 -0.945 0.932 2.338 1.00 64.44 O ATOM 797 CB LEU A 52 -2.851 3.512 1.324 1.00 52.30 C ATOM 798 CG LEU A 52 -4.190 4.269 1.265 1.00 55.23 C ATOM 799 CD1 LEU A 52 -4.289 5.102 -0.008 1.00 52.45 C ATOM 800 CD2 LEU A 52 -5.374 3.306 1.380 1.00 14.31 C ATOM 0 H LEU A 52 -3.199 4.399 3.609 1.00 63.33 H new ATOM 0 HA LEU A 52 -3.319 1.807 2.565 1.00 70.02 H new ATOM 0 HB2 LEU A 52 -2.040 4.237 1.254 1.00 52.30 H new ATOM 0 HB3 LEU A 52 -2.779 2.868 0.447 1.00 52.30 H new ATOM 0 HG LEU A 52 -4.227 4.948 2.117 1.00 55.23 H new ATOM 0 HD11 LEU A 52 -5.244 5.627 -0.026 1.00 52.45 H new ATOM 0 HD12 LEU A 52 -3.476 5.827 -0.032 1.00 52.45 H new ATOM 0 HD13 LEU A 52 -4.218 4.448 -0.877 1.00 52.45 H new ATOM 0 HD21 LEU A 52 -6.306 3.869 1.335 1.00 14.31 H new ATOM 0 HD22 LEU A 52 -5.342 2.591 0.558 1.00 14.31 H new ATOM 0 HD23 LEU A 52 -5.318 2.772 2.328 1.00 14.31 H new ATOM 812 N ILE A 53 -0.246 3.001 2.912 1.00 45.20 N ATOM 813 CA ILE A 53 1.181 2.660 2.965 1.00 64.51 C ATOM 814 C ILE A 53 1.483 1.618 4.057 1.00 41.44 C ATOM 815 O ILE A 53 2.025 0.545 3.778 1.00 45.54 O ATOM 816 CB ILE A 53 2.041 3.921 3.235 1.00 11.42 C ATOM 817 CG1 ILE A 53 1.747 5.003 2.185 1.00 71.02 C ATOM 818 CG2 ILE A 53 3.531 3.569 3.253 1.00 3.23 C ATOM 819 CD1 ILE A 53 2.420 6.329 2.466 1.00 35.41 C ATOM 0 H ILE A 53 -0.446 3.975 3.141 1.00 45.20 H new ATOM 0 HA ILE A 53 1.434 2.237 1.993 1.00 64.51 H new ATOM 0 HB ILE A 53 1.778 4.314 4.217 1.00 11.42 H new ATOM 0 HG12 ILE A 53 2.068 4.644 1.207 1.00 71.02 H new ATOM 0 HG13 ILE A 53 0.670 5.158 2.129 1.00 71.02 H new ATOM 0 HG21 ILE A 53 4.115 4.469 3.444 1.00 3.23 H new ATOM 0 HG22 ILE A 53 3.723 2.838 4.039 1.00 3.23 H new ATOM 0 HG23 ILE A 53 3.817 3.149 2.289 1.00 3.23 H new ATOM 0 HD11 ILE A 53 2.164 7.040 1.681 1.00 35.41 H new ATOM 0 HD12 ILE A 53 2.080 6.713 3.428 1.00 35.41 H new ATOM 0 HD13 ILE A 53 3.501 6.190 2.492 1.00 35.41 H new ATOM 831 N GLU A 54 1.129 1.946 5.300 1.00 30.21 N ATOM 832 CA GLU A 54 1.399 1.065 6.442 1.00 24.01 C ATOM 833 C GLU A 54 0.715 -0.303 6.284 1.00 61.44 C ATOM 834 O GLU A 54 1.242 -1.323 6.734 1.00 54.35 O ATOM 835 CB GLU A 54 0.952 1.733 7.749 1.00 72.02 C ATOM 836 CG GLU A 54 1.682 3.039 8.059 1.00 2.33 C ATOM 837 CD GLU A 54 3.190 2.864 8.196 1.00 31.20 C ATOM 838 OE1 GLU A 54 3.658 2.483 9.294 1.00 65.52 O ATOM 839 OE2 GLU A 54 3.918 3.113 7.212 1.00 13.33 O ATOM 0 H GLU A 54 0.654 2.815 5.544 1.00 30.21 H new ATOM 0 HA GLU A 54 2.475 0.894 6.476 1.00 24.01 H new ATOM 0 HB2 GLU A 54 -0.119 1.930 7.697 1.00 72.02 H new ATOM 0 HB3 GLU A 54 1.108 1.037 8.573 1.00 72.02 H new ATOM 0 HG2 GLU A 54 1.476 3.760 7.268 1.00 2.33 H new ATOM 0 HG3 GLU A 54 1.286 3.459 8.983 1.00 2.33 H new ATOM 846 N ARG A 55 -0.453 -0.317 5.649 1.00 52.54 N ATOM 847 CA ARG A 55 -1.166 -1.563 5.346 1.00 10.54 C ATOM 848 C ARG A 55 -0.360 -2.442 4.368 1.00 72.04 C ATOM 849 O ARG A 55 -0.231 -3.653 4.566 1.00 40.33 O ATOM 850 CB ARG A 55 -2.551 -1.233 4.775 1.00 40.41 C ATOM 851 CG ARG A 55 -3.382 -2.447 4.369 1.00 21.35 C ATOM 852 CD ARG A 55 -4.811 -2.049 4.006 1.00 4.34 C ATOM 853 NE ARG A 55 -5.558 -1.587 5.176 1.00 71.33 N ATOM 854 CZ ARG A 55 -6.528 -0.713 5.149 1.00 23.10 C ATOM 855 NH1 ARG A 55 -6.909 -0.164 4.039 1.00 72.25 N ATOM 856 NH2 ARG A 55 -7.124 -0.389 6.245 1.00 33.41 N ATOM 0 H ARG A 55 -0.932 0.525 5.330 1.00 52.54 H new ATOM 0 HA ARG A 55 -1.288 -2.133 6.267 1.00 10.54 H new ATOM 0 HB2 ARG A 55 -3.108 -0.661 5.517 1.00 40.41 H new ATOM 0 HB3 ARG A 55 -2.426 -0.589 3.905 1.00 40.41 H new ATOM 0 HG2 ARG A 55 -2.914 -2.942 3.518 1.00 21.35 H new ATOM 0 HG3 ARG A 55 -3.400 -3.167 5.187 1.00 21.35 H new ATOM 0 HD2 ARG A 55 -4.789 -1.261 3.254 1.00 4.34 H new ATOM 0 HD3 ARG A 55 -5.324 -2.901 3.560 1.00 4.34 H new ATOM 0 HE ARG A 55 -5.301 -1.978 6.083 1.00 71.33 H new ATOM 0 HH11 ARG A 55 -6.449 -0.412 3.163 1.00 72.25 H new ATOM 0 HH12 ARG A 55 -7.669 0.516 4.041 1.00 72.25 H new ATOM 0 HH21 ARG A 55 -6.837 -0.815 7.127 1.00 33.41 H new ATOM 0 HH22 ARG A 55 -7.882 0.293 6.231 1.00 33.41 H new ATOM 870 N LEU A 56 0.183 -1.821 3.317 1.00 53.14 N ATOM 871 CA LEU A 56 1.072 -2.515 2.372 1.00 42.01 C ATOM 872 C LEU A 56 2.291 -3.118 3.095 1.00 64.53 C ATOM 873 O LEU A 56 2.661 -4.277 2.871 1.00 64.42 O ATOM 874 CB LEU A 56 1.550 -1.540 1.279 1.00 41.30 C ATOM 875 CG LEU A 56 0.488 -1.115 0.252 1.00 4.45 C ATOM 876 CD1 LEU A 56 1.017 0.013 -0.636 1.00 35.25 C ATOM 877 CD2 LEU A 56 0.056 -2.313 -0.595 1.00 42.42 C ATOM 0 H LEU A 56 0.024 -0.838 3.096 1.00 53.14 H new ATOM 0 HA LEU A 56 0.506 -3.326 1.914 1.00 42.01 H new ATOM 0 HB2 LEU A 56 1.940 -0.644 1.763 1.00 41.30 H new ATOM 0 HB3 LEU A 56 2.381 -2.001 0.745 1.00 41.30 H new ATOM 0 HG LEU A 56 -0.383 -0.742 0.791 1.00 4.45 H new ATOM 0 HD11 LEU A 56 0.250 0.299 -1.356 1.00 35.25 H new ATOM 0 HD12 LEU A 56 1.273 0.873 -0.018 1.00 35.25 H new ATOM 0 HD13 LEU A 56 1.905 -0.329 -1.168 1.00 35.25 H new ATOM 0 HD21 LEU A 56 -0.696 -1.996 -1.317 1.00 42.42 H new ATOM 0 HD22 LEU A 56 0.920 -2.715 -1.124 1.00 42.42 H new ATOM 0 HD23 LEU A 56 -0.364 -3.083 0.052 1.00 42.42 H new ATOM 889 N ARG A 57 2.903 -2.319 3.969 1.00 11.42 N ATOM 890 CA ARG A 57 4.090 -2.737 4.723 1.00 12.22 C ATOM 891 C ARG A 57 3.765 -3.885 5.691 1.00 42.20 C ATOM 892 O ARG A 57 4.519 -4.854 5.798 1.00 15.13 O ATOM 893 CB ARG A 57 4.662 -1.537 5.490 1.00 61.34 C ATOM 894 CG ARG A 57 5.013 -0.349 4.596 1.00 21.33 C ATOM 895 CD ARG A 57 5.492 0.849 5.405 1.00 13.33 C ATOM 896 NE ARG A 57 6.731 0.566 6.124 1.00 4.12 N ATOM 897 CZ ARG A 57 7.194 1.286 7.105 1.00 13.14 C ATOM 898 NH1 ARG A 57 6.528 2.304 7.550 1.00 12.05 N ATOM 899 NH2 ARG A 57 8.318 0.963 7.657 1.00 60.14 N ATOM 0 H ARG A 57 2.594 -1.369 4.175 1.00 11.42 H new ATOM 0 HA ARG A 57 4.834 -3.104 4.016 1.00 12.22 H new ATOM 0 HB2 ARG A 57 3.937 -1.216 6.238 1.00 61.34 H new ATOM 0 HB3 ARG A 57 5.556 -1.853 6.027 1.00 61.34 H new ATOM 0 HG2 ARG A 57 5.789 -0.643 3.889 1.00 21.33 H new ATOM 0 HG3 ARG A 57 4.139 -0.065 4.010 1.00 21.33 H new ATOM 0 HD2 ARG A 57 5.646 1.698 4.739 1.00 13.33 H new ATOM 0 HD3 ARG A 57 4.718 1.138 6.116 1.00 13.33 H new ATOM 0 HE ARG A 57 7.270 -0.251 5.838 1.00 4.12 H new ATOM 0 HH11 ARG A 57 5.631 2.549 7.131 1.00 12.05 H new ATOM 0 HH12 ARG A 57 6.901 2.861 8.319 1.00 12.05 H new ATOM 0 HH21 ARG A 57 8.835 0.149 7.323 1.00 60.14 H new ATOM 0 HH22 ARG A 57 8.688 1.522 8.426 1.00 60.14 H new ATOM 913 N ALA A 58 2.631 -3.779 6.384 1.00 53.40 N ATOM 914 CA ALA A 58 2.193 -4.819 7.321 1.00 14.41 C ATOM 915 C ALA A 58 1.976 -6.159 6.604 1.00 22.51 C ATOM 916 O ALA A 58 2.332 -7.221 7.123 1.00 14.45 O ATOM 917 CB ALA A 58 0.919 -4.381 8.031 1.00 14.13 C ATOM 0 H ALA A 58 1.997 -2.983 6.315 1.00 53.40 H new ATOM 0 HA ALA A 58 2.980 -4.962 8.062 1.00 14.41 H new ATOM 0 HB1 ALA A 58 0.602 -5.160 8.724 1.00 14.13 H new ATOM 0 HB2 ALA A 58 1.108 -3.460 8.582 1.00 14.13 H new ATOM 0 HB3 ALA A 58 0.133 -4.209 7.295 1.00 14.13 H new ATOM 923 N TYR A 59 1.395 -6.090 5.408 1.00 41.21 N ATOM 924 CA TYR A 59 1.188 -7.271 4.563 1.00 63.31 C ATOM 925 C TYR A 59 2.523 -7.958 4.221 1.00 22.34 C ATOM 926 O TYR A 59 2.673 -9.172 4.390 1.00 62.13 O ATOM 927 CB TYR A 59 0.453 -6.857 3.279 1.00 63.31 C ATOM 928 CG TYR A 59 0.287 -7.971 2.260 1.00 51.12 C ATOM 929 CD1 TYR A 59 -0.624 -9.002 2.466 1.00 11.32 C ATOM 930 CD2 TYR A 59 1.039 -7.983 1.089 1.00 61.24 C ATOM 931 CE1 TYR A 59 -0.777 -10.013 1.534 1.00 35.32 C ATOM 932 CE2 TYR A 59 0.888 -8.988 0.154 1.00 2.44 C ATOM 933 CZ TYR A 59 -0.021 -10.000 0.379 1.00 33.31 C ATOM 934 OH TYR A 59 -0.173 -10.999 -0.554 1.00 14.53 O ATOM 0 H TYR A 59 1.055 -5.221 4.996 1.00 41.21 H new ATOM 0 HA TYR A 59 0.582 -7.990 5.114 1.00 63.31 H new ATOM 0 HB2 TYR A 59 -0.533 -6.477 3.547 1.00 63.31 H new ATOM 0 HB3 TYR A 59 0.996 -6.034 2.814 1.00 63.31 H new ATOM 0 HD1 TYR A 59 -1.220 -9.013 3.366 1.00 11.32 H new ATOM 0 HD2 TYR A 59 1.753 -7.193 0.908 1.00 61.24 H new ATOM 0 HE1 TYR A 59 -1.485 -10.809 1.709 1.00 35.32 H new ATOM 0 HE2 TYR A 59 1.479 -8.981 -0.750 1.00 2.44 H new ATOM 0 HH TYR A 59 0.433 -10.838 -1.307 1.00 14.53 H new ATOM 944 N GLN A 60 3.494 -7.174 3.751 1.00 23.13 N ATOM 945 CA GLN A 60 4.822 -7.707 3.409 1.00 10.55 C ATOM 946 C GLN A 60 5.578 -8.200 4.651 1.00 22.43 C ATOM 947 O GLN A 60 6.386 -9.123 4.567 1.00 12.34 O ATOM 948 CB GLN A 60 5.653 -6.645 2.681 1.00 52.22 C ATOM 949 CG GLN A 60 5.158 -6.341 1.272 1.00 11.21 C ATOM 950 CD GLN A 60 5.315 -7.508 0.302 1.00 51.41 C ATOM 951 OE1 GLN A 60 4.522 -7.679 -0.616 1.00 73.42 O ATOM 952 NE2 GLN A 60 6.345 -8.309 0.481 1.00 62.23 N ATOM 0 H GLN A 60 3.391 -6.171 3.597 1.00 23.13 H new ATOM 0 HA GLN A 60 4.668 -8.561 2.750 1.00 10.55 H new ATOM 0 HB2 GLN A 60 5.644 -5.725 3.266 1.00 52.22 H new ATOM 0 HB3 GLN A 60 6.689 -6.980 2.629 1.00 52.22 H new ATOM 0 HG2 GLN A 60 4.106 -6.058 1.319 1.00 11.21 H new ATOM 0 HG3 GLN A 60 5.703 -5.481 0.883 1.00 11.21 H new ATOM 0 HE21 GLN A 60 6.991 -8.145 1.253 1.00 62.23 H new ATOM 0 HE22 GLN A 60 6.497 -9.094 -0.153 1.00 62.23 H new ATOM 961 N ASP A 61 5.313 -7.580 5.795 1.00 44.00 N ATOM 962 CA ASP A 61 5.932 -7.986 7.061 1.00 65.44 C ATOM 963 C ASP A 61 5.521 -9.416 7.455 1.00 4.45 C ATOM 964 O ASP A 61 6.344 -10.206 7.923 1.00 31.31 O ATOM 965 CB ASP A 61 5.551 -6.990 8.162 1.00 64.42 C ATOM 966 CG ASP A 61 5.954 -7.453 9.553 1.00 45.42 C ATOM 967 OD1 ASP A 61 7.165 -7.502 9.850 1.00 63.10 O ATOM 968 OD2 ASP A 61 5.052 -7.772 10.355 1.00 54.12 O ATOM 0 H ASP A 61 4.672 -6.791 5.877 1.00 44.00 H new ATOM 0 HA ASP A 61 7.014 -7.983 6.933 1.00 65.44 H new ATOM 0 HB2 ASP A 61 6.024 -6.030 7.954 1.00 64.42 H new ATOM 0 HB3 ASP A 61 4.474 -6.826 8.138 1.00 64.42 H new ATOM 973 N GLN A 62 4.247 -9.741 7.251 1.00 64.25 N ATOM 974 CA GLN A 62 3.721 -11.073 7.568 1.00 53.01 C ATOM 975 C GLN A 62 4.398 -12.168 6.728 1.00 45.14 C ATOM 976 O GLN A 62 4.846 -13.187 7.260 1.00 1.40 O ATOM 977 CB GLN A 62 2.206 -11.101 7.339 1.00 21.54 C ATOM 978 CG GLN A 62 1.443 -10.109 8.210 1.00 15.02 C ATOM 979 CD GLN A 62 -0.045 -10.081 7.909 1.00 72.21 C ATOM 980 OE1 GLN A 62 -0.509 -9.308 7.079 1.00 10.00 O ATOM 981 NE2 GLN A 62 -0.804 -10.924 8.580 1.00 2.12 N ATOM 0 H GLN A 62 3.554 -9.099 6.866 1.00 64.25 H new ATOM 0 HA GLN A 62 3.939 -11.277 8.616 1.00 53.01 H new ATOM 0 HB2 GLN A 62 2.001 -10.885 6.290 1.00 21.54 H new ATOM 0 HB3 GLN A 62 1.835 -12.107 7.536 1.00 21.54 H new ATOM 0 HG2 GLN A 62 1.592 -10.365 9.259 1.00 15.02 H new ATOM 0 HG3 GLN A 62 1.857 -9.111 8.064 1.00 15.02 H new ATOM 0 HE21 GLN A 62 -0.385 -11.554 9.264 1.00 2.12 H new ATOM 0 HE22 GLN A 62 -1.810 -10.946 8.415 1.00 2.12 H new ATOM 990 N ILE A 63 4.466 -11.957 5.417 1.00 60.31 N ATOM 991 CA ILE A 63 5.103 -12.922 4.513 1.00 23.31 C ATOM 992 C ILE A 63 6.640 -12.799 4.531 1.00 51.01 C ATOM 993 O ILE A 63 7.347 -13.730 4.139 1.00 32.31 O ATOM 994 CB ILE A 63 4.588 -12.765 3.057 1.00 10.22 C ATOM 995 CG1 ILE A 63 4.898 -11.359 2.511 1.00 72.32 C ATOM 996 CG2 ILE A 63 3.087 -13.051 2.993 1.00 1.11 C ATOM 997 CD1 ILE A 63 4.453 -11.144 1.078 1.00 55.51 C ATOM 0 H ILE A 63 4.090 -11.130 4.953 1.00 60.31 H new ATOM 0 HA ILE A 63 4.830 -13.912 4.879 1.00 23.31 H new ATOM 0 HB ILE A 63 5.108 -13.489 2.430 1.00 10.22 H new ATOM 0 HG12 ILE A 63 4.413 -10.618 3.147 1.00 72.32 H new ATOM 0 HG13 ILE A 63 5.972 -11.183 2.578 1.00 72.32 H new ATOM 0 HG21 ILE A 63 2.738 -12.937 1.967 1.00 1.11 H new ATOM 0 HG22 ILE A 63 2.896 -14.070 3.330 1.00 1.11 H new ATOM 0 HG23 ILE A 63 2.555 -12.350 3.636 1.00 1.11 H new ATOM 0 HD11 ILE A 63 4.706 -10.131 0.766 1.00 55.51 H new ATOM 0 HD12 ILE A 63 4.957 -11.860 0.429 1.00 55.51 H new ATOM 0 HD13 ILE A 63 3.375 -11.287 1.007 1.00 55.51 H new ATOM 1009 N SER A 64 7.139 -11.641 4.992 1.00 33.11 N ATOM 1010 CA SER A 64 8.589 -11.360 5.083 1.00 1.14 C ATOM 1011 C SER A 64 9.236 -11.245 3.688 1.00 22.32 C ATOM 1012 O SER A 64 8.803 -11.904 2.743 1.00 50.03 O ATOM 1013 CB SER A 64 9.304 -12.444 5.915 1.00 2.32 C ATOM 1014 OG SER A 64 10.676 -12.134 6.117 1.00 51.30 O ATOM 0 H SER A 64 6.553 -10.871 5.313 1.00 33.11 H new ATOM 0 HA SER A 64 8.703 -10.399 5.584 1.00 1.14 H new ATOM 0 HB2 SER A 64 8.809 -12.547 6.880 1.00 2.32 H new ATOM 0 HB3 SER A 64 9.219 -13.406 5.409 1.00 2.32 H new ATOM 0 HG SER A 64 11.096 -12.841 6.649 1.00 51.30 H new ATOM 1020 N PRO A 65 10.271 -10.388 3.527 1.00 32.45 N ATOM 1021 CA PRO A 65 10.990 -10.243 2.248 1.00 12.50 C ATOM 1022 C PRO A 65 11.400 -11.601 1.645 1.00 31.40 C ATOM 1023 O PRO A 65 12.286 -12.285 2.161 1.00 61.43 O ATOM 1024 CB PRO A 65 12.231 -9.395 2.610 1.00 14.51 C ATOM 1025 CG PRO A 65 12.246 -9.317 4.106 1.00 54.21 C ATOM 1026 CD PRO A 65 10.820 -9.490 4.552 1.00 61.12 C ATOM 0 HA PRO A 65 10.365 -9.780 1.484 1.00 12.50 H new ATOM 0 HB2 PRO A 65 13.144 -9.856 2.233 1.00 14.51 H new ATOM 0 HB3 PRO A 65 12.169 -8.401 2.167 1.00 14.51 H new ATOM 0 HG2 PRO A 65 12.883 -10.094 4.529 1.00 54.21 H new ATOM 0 HG3 PRO A 65 12.645 -8.360 4.441 1.00 54.21 H new ATOM 0 HD2 PRO A 65 10.757 -9.926 5.549 1.00 61.12 H new ATOM 0 HD3 PRO A 65 10.288 -8.540 4.586 1.00 61.12 H new ATOM 1034 N VAL A 66 10.734 -11.986 0.558 1.00 51.34 N ATOM 1035 CA VAL A 66 10.958 -13.291 -0.074 1.00 23.44 C ATOM 1036 C VAL A 66 12.398 -13.445 -0.605 1.00 61.41 C ATOM 1037 O VAL A 66 12.927 -12.546 -1.261 1.00 1.41 O ATOM 1038 CB VAL A 66 9.955 -13.528 -1.236 1.00 61.02 C ATOM 1039 CG1 VAL A 66 8.516 -13.505 -0.722 1.00 74.10 C ATOM 1040 CG2 VAL A 66 10.145 -12.494 -2.346 1.00 33.31 C ATOM 0 H VAL A 66 10.031 -11.412 0.093 1.00 51.34 H new ATOM 0 HA VAL A 66 10.799 -14.039 0.703 1.00 23.44 H new ATOM 0 HB VAL A 66 10.155 -14.514 -1.655 1.00 61.02 H new ATOM 0 HG11 VAL A 66 7.830 -13.673 -1.552 1.00 74.10 H new ATOM 0 HG12 VAL A 66 8.383 -14.290 0.023 1.00 74.10 H new ATOM 0 HG13 VAL A 66 8.307 -12.536 -0.269 1.00 74.10 H new ATOM 0 HG21 VAL A 66 9.430 -12.684 -3.146 1.00 33.31 H new ATOM 0 HG22 VAL A 66 9.982 -11.494 -1.944 1.00 33.31 H new ATOM 0 HG23 VAL A 66 11.159 -12.566 -2.740 1.00 33.31 H new ATOM 1050 N PRO A 67 13.052 -14.593 -0.328 1.00 40.20 N ATOM 1051 CA PRO A 67 14.418 -14.874 -0.817 1.00 31.31 C ATOM 1052 C PRO A 67 14.442 -15.244 -2.312 1.00 52.33 C ATOM 1053 O PRO A 67 14.970 -16.290 -2.704 1.00 20.33 O ATOM 1054 CB PRO A 67 14.850 -16.061 0.055 1.00 1.43 C ATOM 1055 CG PRO A 67 13.576 -16.774 0.373 1.00 65.00 C ATOM 1056 CD PRO A 67 12.520 -15.704 0.492 1.00 63.41 C ATOM 0 HA PRO A 67 15.077 -14.009 -0.742 1.00 31.31 H new ATOM 0 HB2 PRO A 67 15.547 -16.710 -0.475 1.00 1.43 H new ATOM 0 HB3 PRO A 67 15.354 -15.725 0.961 1.00 1.43 H new ATOM 0 HG2 PRO A 67 13.322 -17.488 -0.411 1.00 65.00 H new ATOM 0 HG3 PRO A 67 13.666 -17.339 1.301 1.00 65.00 H new ATOM 0 HD2 PRO A 67 11.556 -16.050 0.120 1.00 63.41 H new ATOM 0 HD3 PRO A 67 12.372 -15.401 1.529 1.00 63.41 H new ATOM 1064 N GLY A 68 13.889 -14.362 -3.145 1.00 5.01 N ATOM 1065 CA GLY A 68 13.792 -14.629 -4.574 1.00 53.41 C ATOM 1066 C GLY A 68 12.660 -15.590 -4.928 1.00 2.14 C ATOM 1067 O GLY A 68 12.900 -16.753 -5.257 1.00 33.44 O ATOM 0 H GLY A 68 13.505 -13.463 -2.854 1.00 5.01 H new ATOM 0 HA2 GLY A 68 13.641 -13.688 -5.104 1.00 53.41 H new ATOM 0 HA3 GLY A 68 14.737 -15.045 -4.925 1.00 53.41 H new ATOM 1071 N ALA A 69 11.425 -15.097 -4.875 1.00 11.24 N ATOM 1072 CA ALA A 69 10.252 -15.925 -5.162 1.00 73.33 C ATOM 1073 C ALA A 69 9.002 -15.061 -5.404 1.00 0.42 C ATOM 1074 O ALA A 69 8.671 -14.199 -4.590 1.00 61.12 O ATOM 1075 CB ALA A 69 10.003 -16.896 -4.012 1.00 34.20 C ATOM 0 H ALA A 69 11.209 -14.129 -4.636 1.00 11.24 H new ATOM 0 HA ALA A 69 10.453 -16.489 -6.073 1.00 73.33 H new ATOM 0 HB1 ALA A 69 9.129 -17.507 -4.235 1.00 34.20 H new ATOM 0 HB2 ALA A 69 10.873 -17.540 -3.885 1.00 34.20 H new ATOM 0 HB3 ALA A 69 9.829 -16.335 -3.094 1.00 34.20 H new ATOM 1081 N PRO A 70 8.285 -15.283 -6.520 1.00 40.01 N ATOM 1082 CA PRO A 70 7.049 -14.544 -6.822 1.00 61.11 C ATOM 1083 C PRO A 70 5.841 -15.035 -6.000 1.00 41.42 C ATOM 1084 O PRO A 70 5.710 -16.229 -5.707 1.00 10.20 O ATOM 1085 CB PRO A 70 6.842 -14.822 -8.314 1.00 15.42 C ATOM 1086 CG PRO A 70 7.449 -16.169 -8.530 1.00 20.32 C ATOM 1087 CD PRO A 70 8.621 -16.257 -7.579 1.00 74.05 C ATOM 0 HA PRO A 70 7.132 -13.486 -6.573 1.00 61.11 H new ATOM 0 HB2 PRO A 70 5.784 -14.817 -8.576 1.00 15.42 H new ATOM 0 HB3 PRO A 70 7.327 -14.065 -8.930 1.00 15.42 H new ATOM 0 HG2 PRO A 70 6.725 -16.959 -8.331 1.00 20.32 H new ATOM 0 HG3 PRO A 70 7.775 -16.288 -9.563 1.00 20.32 H new ATOM 0 HD2 PRO A 70 8.735 -17.263 -7.176 1.00 74.05 H new ATOM 0 HD3 PRO A 70 9.558 -16.003 -8.074 1.00 74.05 H new ATOM 1095 N LYS A 71 4.958 -14.110 -5.632 1.00 54.11 N ATOM 1096 CA LYS A 71 3.755 -14.445 -4.858 1.00 74.35 C ATOM 1097 C LYS A 71 2.715 -15.149 -5.746 1.00 71.35 C ATOM 1098 O LYS A 71 2.060 -16.110 -5.332 1.00 24.02 O ATOM 1099 CB LYS A 71 3.156 -13.165 -4.267 1.00 43.12 C ATOM 1100 CG LYS A 71 4.130 -12.360 -3.404 1.00 72.13 C ATOM 1101 CD LYS A 71 3.570 -10.982 -3.053 1.00 20.32 C ATOM 1102 CE LYS A 71 3.324 -10.141 -4.302 1.00 64.01 C ATOM 1103 NZ LYS A 71 2.756 -8.806 -3.977 1.00 34.00 N ATOM 0 H LYS A 71 5.049 -13.119 -5.856 1.00 54.11 H new ATOM 0 HA LYS A 71 4.034 -15.124 -4.052 1.00 74.35 H new ATOM 0 HB2 LYS A 71 2.801 -12.533 -5.081 1.00 43.12 H new ATOM 0 HB3 LYS A 71 2.286 -13.428 -3.665 1.00 43.12 H new ATOM 0 HG2 LYS A 71 4.344 -12.910 -2.487 1.00 72.13 H new ATOM 0 HG3 LYS A 71 5.075 -12.244 -3.934 1.00 72.13 H new ATOM 0 HD2 LYS A 71 2.637 -11.097 -2.502 1.00 20.32 H new ATOM 0 HD3 LYS A 71 4.267 -10.462 -2.395 1.00 20.32 H new ATOM 0 HE2 LYS A 71 4.262 -10.013 -4.842 1.00 64.01 H new ATOM 0 HE3 LYS A 71 2.643 -10.672 -4.967 1.00 64.01 H new ATOM 0 HZ1 LYS A 71 2.605 -8.270 -4.855 1.00 34.00 H new ATOM 0 HZ2 LYS A 71 1.848 -8.926 -3.484 1.00 34.00 H new ATOM 0 HZ3 LYS A 71 3.417 -8.288 -3.364 1.00 34.00 H new ATOM 1117 N ALA A 72 2.577 -14.654 -6.973 1.00 22.45 N ATOM 1118 CA ALA A 72 1.672 -15.240 -7.965 1.00 30.02 C ATOM 1119 C ALA A 72 2.471 -15.934 -9.083 1.00 13.30 C ATOM 1120 O ALA A 72 3.626 -15.586 -9.330 1.00 73.11 O ATOM 1121 CB ALA A 72 0.771 -14.151 -8.545 1.00 45.55 C ATOM 0 H ALA A 72 3.087 -13.837 -7.310 1.00 22.45 H new ATOM 0 HA ALA A 72 1.051 -15.992 -7.478 1.00 30.02 H new ATOM 0 HB1 ALA A 72 0.099 -14.590 -9.283 1.00 45.55 H new ATOM 0 HB2 ALA A 72 0.186 -13.698 -7.745 1.00 45.55 H new ATOM 0 HB3 ALA A 72 1.385 -13.387 -9.022 1.00 45.55 H new ATOM 1127 N PRO A 73 1.875 -16.922 -9.780 1.00 42.14 N ATOM 1128 CA PRO A 73 2.556 -17.646 -10.877 1.00 41.04 C ATOM 1129 C PRO A 73 2.657 -16.826 -12.183 1.00 72.44 C ATOM 1130 O PRO A 73 2.502 -17.364 -13.284 1.00 72.54 O ATOM 1131 CB PRO A 73 1.662 -18.877 -11.066 1.00 34.22 C ATOM 1132 CG PRO A 73 0.299 -18.419 -10.667 1.00 45.01 C ATOM 1133 CD PRO A 73 0.502 -17.421 -9.554 1.00 44.31 C ATOM 0 HA PRO A 73 3.594 -17.876 -10.636 1.00 41.04 H new ATOM 0 HB2 PRO A 73 1.677 -19.223 -12.100 1.00 34.22 H new ATOM 0 HB3 PRO A 73 1.997 -19.709 -10.447 1.00 34.22 H new ATOM 0 HG2 PRO A 73 -0.221 -17.963 -11.509 1.00 45.01 H new ATOM 0 HG3 PRO A 73 -0.311 -19.258 -10.332 1.00 45.01 H new ATOM 0 HD2 PRO A 73 -0.230 -16.615 -9.600 1.00 44.31 H new ATOM 0 HD3 PRO A 73 0.401 -17.887 -8.574 1.00 44.31 H new ATOM 1141 N ALA A 74 2.965 -15.534 -12.051 1.00 74.24 N ATOM 1142 CA ALA A 74 3.066 -14.625 -13.198 1.00 5.10 C ATOM 1143 C ALA A 74 4.030 -13.463 -12.905 1.00 34.12 C ATOM 1144 O ALA A 74 4.600 -13.375 -11.815 1.00 75.40 O ATOM 1145 CB ALA A 74 1.684 -14.091 -13.569 1.00 51.22 C ATOM 0 H ALA A 74 3.151 -15.089 -11.152 1.00 74.24 H new ATOM 0 HA ALA A 74 3.467 -15.187 -14.042 1.00 5.10 H new ATOM 0 HB1 ALA A 74 1.771 -13.417 -14.422 1.00 51.22 H new ATOM 0 HB2 ALA A 74 1.030 -14.923 -13.829 1.00 51.22 H new ATOM 0 HB3 ALA A 74 1.263 -13.551 -12.721 1.00 51.22 H new ATOM 1151 N ALA A 75 4.208 -12.575 -13.883 1.00 21.43 N ATOM 1152 CA ALA A 75 5.117 -11.424 -13.744 1.00 24.11 C ATOM 1153 C ALA A 75 4.384 -10.166 -13.227 1.00 64.34 C ATOM 1154 O ALA A 75 3.707 -9.489 -14.034 1.00 38.41 O ATOM 1155 CB ALA A 75 5.804 -11.137 -15.081 1.00 21.42 C ATOM 1156 OXT ALA A 75 4.498 -9.852 -12.020 1.00 38.41 O ATOM 0 H ALA A 75 3.735 -12.626 -14.785 1.00 21.43 H new ATOM 0 HA ALA A 75 5.871 -11.683 -13.001 1.00 24.11 H new ATOM 0 HB1 ALA A 75 6.474 -10.285 -14.970 1.00 21.42 H new ATOM 0 HB2 ALA A 75 6.377 -12.011 -15.391 1.00 21.42 H new ATOM 0 HB3 ALA A 75 5.051 -10.910 -15.836 1.00 21.42 H new TER 1162 ALA A 75