USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 747 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 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= -0.496 USER MOD Single : A 1 MET CE :methyl -123:sc= 0 (180deg=-0.17) USER MOD Single : A 1 MET N :NH3+ -141:sc= 0.0423 (180deg=-0.292) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 169:sc=-0.00268 (180deg=-0.107) USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 0.459 (180deg=0.447) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.71 K(o=-0.71,f=-1.5) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.29) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.63 USER MOD Single : A 48 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.57) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.01 K(o=-1,f=-2.3!) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0307) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.073) USER MOD Single : A 86 ASN : amide:sc= -4.93 K(o=-4.9,f=-3.6) USER MOD Single : A 87 ASN : amide:sc= -0.222 K(o=-0.22,f=-3.1!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.920 -0.191 0.777 1.00 51.12 N ATOM 2 CA MET A 1 2.565 0.044 -0.510 1.00 14.20 C ATOM 3 C MET A 1 3.754 -0.891 -0.701 1.00 24.01 C ATOM 4 O MET A 1 4.059 -1.710 0.167 1.00 64.34 O ATOM 5 CB MET A 1 3.023 1.500 -0.616 1.00 70.15 C ATOM 6 CG MET A 1 1.919 2.507 -0.338 1.00 32.35 C ATOM 7 SD MET A 1 2.439 4.208 -0.631 1.00 64.24 S ATOM 8 CE MET A 1 2.452 4.253 -2.422 1.00 4.31 C ATOM 0 H1 MET A 1 0.888 -0.118 0.667 1.00 51.12 H new ATOM 0 H2 MET A 1 2.165 -1.142 1.120 1.00 51.12 H new ATOM 0 H3 MET A 1 2.246 0.519 1.463 1.00 51.12 H new ATOM 0 HA MET A 1 1.837 -0.158 -1.296 1.00 14.20 H new ATOM 0 HB2 MET A 1 3.841 1.667 0.085 1.00 70.15 H new ATOM 0 HB3 MET A 1 3.420 1.675 -1.616 1.00 70.15 H new ATOM 0 HG2 MET A 1 1.059 2.281 -0.968 1.00 32.35 H new ATOM 0 HG3 MET A 1 1.592 2.405 0.697 1.00 32.35 H new ATOM 0 HE1 MET A 1 3.442 4.545 -2.771 1.00 4.31 H new ATOM 0 HE2 MET A 1 2.206 3.266 -2.813 1.00 4.31 H new ATOM 0 HE3 MET A 1 1.716 4.976 -2.773 1.00 4.31 H new ATOM 18 N THR A 2 4.424 -0.764 -1.842 1.00 63.13 N ATOM 19 CA THR A 2 5.579 -1.599 -2.147 1.00 44.34 C ATOM 20 C THR A 2 6.882 -0.838 -1.924 1.00 35.20 C ATOM 21 O THR A 2 7.962 -1.327 -2.257 1.00 15.43 O ATOM 22 CB THR A 2 5.538 -2.106 -3.601 1.00 74.21 C ATOM 23 OG1 THR A 2 5.557 -0.998 -4.508 1.00 4.03 O ATOM 24 CG2 THR A 2 4.293 -2.946 -3.846 1.00 13.34 C ATOM 0 H THR A 2 4.186 -0.091 -2.570 1.00 63.13 H new ATOM 0 HA THR A 2 5.539 -2.453 -1.471 1.00 44.34 H new ATOM 0 HB THR A 2 6.417 -2.728 -3.770 1.00 74.21 H new ATOM 0 HG1 THR A 2 5.532 -1.329 -5.430 1.00 4.03 H new ATOM 0 HG21 THR A 2 4.286 -3.293 -4.879 1.00 13.34 H new ATOM 0 HG22 THR A 2 4.296 -3.805 -3.175 1.00 13.34 H new ATOM 0 HG23 THR A 2 3.405 -2.343 -3.660 1.00 13.34 H new ATOM 32 N ARG A 3 6.772 0.359 -1.358 1.00 43.41 N ATOM 33 CA ARG A 3 7.942 1.188 -1.091 1.00 20.43 C ATOM 34 C ARG A 3 8.420 1.005 0.347 1.00 41.32 C ATOM 35 O ARG A 3 7.736 0.392 1.166 1.00 31.30 O ATOM 36 CB ARG A 3 7.620 2.661 -1.350 1.00 23.44 C ATOM 37 CG ARG A 3 6.926 2.908 -2.679 1.00 21.11 C ATOM 38 CD ARG A 3 7.823 2.545 -3.852 1.00 2.01 C ATOM 39 NE ARG A 3 7.136 2.691 -5.132 1.00 50.02 N ATOM 40 CZ ARG A 3 6.899 3.864 -5.709 1.00 74.44 C ATOM 41 NH1 ARG A 3 7.291 4.986 -5.123 1.00 44.34 N ATOM 42 NH2 ARG A 3 6.267 3.915 -6.875 1.00 64.14 N ATOM 0 H ARG A 3 5.885 0.777 -1.075 1.00 43.41 H new ATOM 0 HA ARG A 3 8.740 0.875 -1.764 1.00 20.43 H new ATOM 0 HB2 ARG A 3 6.987 3.033 -0.544 1.00 23.44 H new ATOM 0 HB3 ARG A 3 8.545 3.237 -1.320 1.00 23.44 H new ATOM 0 HG2 ARG A 3 6.008 2.321 -2.726 1.00 21.11 H new ATOM 0 HG3 ARG A 3 6.638 3.957 -2.751 1.00 21.11 H new ATOM 0 HD2 ARG A 3 8.709 3.180 -3.841 1.00 2.01 H new ATOM 0 HD3 ARG A 3 8.167 1.517 -3.741 1.00 2.01 H new ATOM 0 HE ARG A 3 6.821 1.846 -5.609 1.00 50.02 H new ATOM 0 HH11 ARG A 3 7.776 4.951 -4.226 1.00 44.34 H new ATOM 0 HH12 ARG A 3 7.108 5.885 -5.568 1.00 44.34 H new ATOM 0 HH21 ARG A 3 5.963 3.053 -7.328 1.00 64.14 H new ATOM 0 HH22 ARG A 3 6.085 4.816 -7.318 1.00 64.14 H new ATOM 56 N ASP A 4 9.598 1.542 0.645 1.00 23.53 N ATOM 57 CA ASP A 4 10.168 1.439 1.984 1.00 60.32 C ATOM 58 C ASP A 4 9.756 2.630 2.843 1.00 44.44 C ATOM 59 O ASP A 4 9.331 3.664 2.326 1.00 72.20 O ATOM 60 CB ASP A 4 11.693 1.352 1.907 1.00 41.43 C ATOM 61 CG ASP A 4 12.322 2.644 1.423 1.00 5.24 C ATOM 62 OD1 ASP A 4 11.653 3.386 0.675 1.00 12.21 O ATOM 63 OD2 ASP A 4 13.485 2.913 1.793 1.00 70.21 O ATOM 0 H ASP A 4 10.177 2.053 -0.022 1.00 23.53 H new ATOM 0 HA ASP A 4 9.783 0.530 2.447 1.00 60.32 H new ATOM 0 HB2 ASP A 4 12.090 1.104 2.891 1.00 41.43 H new ATOM 0 HB3 ASP A 4 11.974 0.540 1.236 1.00 41.43 H new ATOM 68 N PHE A 5 9.885 2.479 4.157 1.00 71.24 N ATOM 69 CA PHE A 5 9.524 3.542 5.088 1.00 63.53 C ATOM 70 C PHE A 5 10.768 4.138 5.740 1.00 50.30 C ATOM 71 O PHE A 5 11.890 3.703 5.480 1.00 73.52 O ATOM 72 CB PHE A 5 8.577 3.006 6.164 1.00 42.33 C ATOM 73 CG PHE A 5 7.125 3.142 5.805 1.00 31.03 C ATOM 74 CD1 PHE A 5 6.452 4.333 6.024 1.00 2.42 C ATOM 75 CD2 PHE A 5 6.433 2.078 5.249 1.00 14.52 C ATOM 76 CE1 PHE A 5 5.116 4.461 5.696 1.00 33.50 C ATOM 77 CE2 PHE A 5 5.096 2.200 4.919 1.00 70.23 C ATOM 78 CZ PHE A 5 4.437 3.393 5.141 1.00 21.15 C ATOM 0 H PHE A 5 10.237 1.631 4.601 1.00 71.24 H new ATOM 0 HA PHE A 5 9.018 4.327 4.527 1.00 63.53 H new ATOM 0 HB2 PHE A 5 8.802 1.955 6.344 1.00 42.33 H new ATOM 0 HB3 PHE A 5 8.764 3.536 7.098 1.00 42.33 H new ATOM 0 HD1 PHE A 5 6.978 5.171 6.456 1.00 2.42 H new ATOM 0 HD2 PHE A 5 6.944 1.143 5.071 1.00 14.52 H new ATOM 0 HE1 PHE A 5 4.603 5.395 5.873 1.00 33.50 H new ATOM 0 HE2 PHE A 5 4.567 1.363 4.488 1.00 70.23 H new ATOM 0 HZ PHE A 5 3.393 3.491 4.881 1.00 21.15 H new ATOM 88 N LYS A 6 10.561 5.139 6.589 1.00 11.10 N ATOM 89 CA LYS A 6 11.663 5.797 7.280 1.00 2.14 C ATOM 90 C LYS A 6 11.643 5.471 8.770 1.00 13.45 C ATOM 91 O LYS A 6 10.625 5.056 9.326 1.00 64.24 O ATOM 92 CB LYS A 6 11.588 7.312 7.078 1.00 52.13 C ATOM 93 CG LYS A 6 12.324 7.798 5.841 1.00 23.42 C ATOM 94 CD LYS A 6 11.899 9.204 5.455 1.00 54.20 C ATOM 95 CE LYS A 6 12.565 9.653 4.164 1.00 42.53 C ATOM 96 NZ LYS A 6 12.051 8.904 2.984 1.00 15.40 N ATOM 0 H LYS A 6 9.639 5.512 6.815 1.00 11.10 H new ATOM 0 HA LYS A 6 12.597 5.426 6.857 1.00 2.14 H new ATOM 0 HB2 LYS A 6 10.542 7.609 7.008 1.00 52.13 H new ATOM 0 HB3 LYS A 6 12.003 7.808 7.956 1.00 52.13 H new ATOM 0 HG2 LYS A 6 13.398 7.779 6.025 1.00 23.42 H new ATOM 0 HG3 LYS A 6 12.131 7.118 5.011 1.00 23.42 H new ATOM 0 HD2 LYS A 6 10.816 9.239 5.338 1.00 54.20 H new ATOM 0 HD3 LYS A 6 12.155 9.896 6.257 1.00 54.20 H new ATOM 0 HE2 LYS A 6 12.394 10.720 4.019 1.00 42.53 H new ATOM 0 HE3 LYS A 6 13.643 9.511 4.243 1.00 42.53 H new ATOM 0 HZ1 LYS A 6 12.386 9.359 2.111 1.00 15.40 H new ATOM 0 HZ2 LYS A 6 12.397 7.924 3.018 1.00 15.40 H new ATOM 0 HZ3 LYS A 6 11.011 8.905 2.998 1.00 15.40 H new ATOM 110 N PRO A 7 12.791 5.665 9.435 1.00 4.03 N ATOM 111 CA PRO A 7 12.930 5.400 10.870 1.00 32.14 C ATOM 112 C PRO A 7 12.154 6.399 11.722 1.00 45.30 C ATOM 113 O PRO A 7 12.341 7.609 11.601 1.00 41.22 O ATOM 114 CB PRO A 7 14.434 5.543 11.114 1.00 2.41 C ATOM 115 CG PRO A 7 14.908 6.451 10.032 1.00 3.11 C ATOM 116 CD PRO A 7 14.043 6.158 8.837 1.00 4.34 C ATOM 0 HA PRO A 7 12.531 4.423 11.144 1.00 32.14 H new ATOM 0 HB2 PRO A 7 14.637 5.962 12.100 1.00 2.41 H new ATOM 0 HB3 PRO A 7 14.936 4.577 11.068 1.00 2.41 H new ATOM 0 HG2 PRO A 7 14.819 7.495 10.332 1.00 3.11 H new ATOM 0 HG3 PRO A 7 15.959 6.273 9.806 1.00 3.11 H new ATOM 0 HD2 PRO A 7 13.876 7.050 8.233 1.00 4.34 H new ATOM 0 HD3 PRO A 7 14.498 5.412 8.185 1.00 4.34 H new ATOM 124 N GLY A 8 11.283 5.885 12.585 1.00 64.42 N ATOM 125 CA GLY A 8 10.493 6.746 13.444 1.00 2.43 C ATOM 126 C GLY A 8 9.195 7.180 12.794 1.00 15.40 C ATOM 127 O GLY A 8 8.594 8.177 13.196 1.00 50.22 O ATOM 0 H GLY A 8 11.111 4.887 12.704 1.00 64.42 H new ATOM 0 HA2 GLY A 8 10.273 6.222 14.374 1.00 2.43 H new ATOM 0 HA3 GLY A 8 11.077 7.628 13.706 1.00 2.43 H new ATOM 131 N ASP A 9 8.761 6.432 11.786 1.00 53.01 N ATOM 132 CA ASP A 9 7.525 6.745 11.078 1.00 51.13 C ATOM 133 C ASP A 9 6.334 6.049 11.729 1.00 61.53 C ATOM 134 O ASP A 9 6.419 4.882 12.115 1.00 33.01 O ATOM 135 CB ASP A 9 7.634 6.330 9.610 1.00 42.44 C ATOM 136 CG ASP A 9 8.094 7.468 8.719 1.00 13.12 C ATOM 137 OD1 ASP A 9 8.652 8.450 9.252 1.00 32.31 O ATOM 138 OD2 ASP A 9 7.895 7.377 7.490 1.00 55.35 O ATOM 0 H ASP A 9 9.247 5.604 11.440 1.00 53.01 H new ATOM 0 HA ASP A 9 7.367 7.822 11.132 1.00 51.13 H new ATOM 0 HB2 ASP A 9 8.333 5.498 9.522 1.00 42.44 H new ATOM 0 HB3 ASP A 9 6.665 5.971 9.264 1.00 42.44 H new ATOM 143 N LEU A 10 5.226 6.771 11.848 1.00 33.13 N ATOM 144 CA LEU A 10 4.017 6.223 12.454 1.00 71.12 C ATOM 145 C LEU A 10 3.232 5.390 11.445 1.00 0.12 C ATOM 146 O LEU A 10 2.705 5.919 10.466 1.00 73.50 O ATOM 147 CB LEU A 10 3.137 7.351 12.995 1.00 2.20 C ATOM 148 CG LEU A 10 3.761 8.225 14.084 1.00 32.32 C ATOM 149 CD1 LEU A 10 4.486 7.365 15.108 1.00 51.11 C ATOM 150 CD2 LEU A 10 4.711 9.244 13.472 1.00 72.31 C ATOM 0 H LEU A 10 5.139 7.737 11.533 1.00 33.13 H new ATOM 0 HA LEU A 10 4.315 5.576 13.279 1.00 71.12 H new ATOM 0 HB2 LEU A 10 2.850 7.993 12.162 1.00 2.20 H new ATOM 0 HB3 LEU A 10 2.220 6.912 13.390 1.00 2.20 H new ATOM 0 HG LEU A 10 2.962 8.764 14.593 1.00 32.32 H new ATOM 0 HD11 LEU A 10 4.924 8.004 15.875 1.00 51.11 H new ATOM 0 HD12 LEU A 10 3.779 6.676 15.570 1.00 51.11 H new ATOM 0 HD13 LEU A 10 5.275 6.799 14.614 1.00 51.11 H new ATOM 0 HD21 LEU A 10 5.145 9.857 14.262 1.00 72.31 H new ATOM 0 HD22 LEU A 10 5.506 8.725 12.937 1.00 72.31 H new ATOM 0 HD23 LEU A 10 4.163 9.881 12.778 1.00 72.31 H new ATOM 162 N ILE A 11 3.157 4.087 11.693 1.00 64.34 N ATOM 163 CA ILE A 11 2.434 3.182 10.808 1.00 50.02 C ATOM 164 C ILE A 11 1.846 2.008 11.583 1.00 25.23 C ATOM 165 O ILE A 11 2.463 1.497 12.519 1.00 52.12 O ATOM 166 CB ILE A 11 3.344 2.640 9.690 1.00 43.41 C ATOM 167 CG1 ILE A 11 4.547 1.910 10.291 1.00 61.13 C ATOM 168 CG2 ILE A 11 3.804 3.774 8.785 1.00 31.02 C ATOM 169 CD1 ILE A 11 4.298 0.439 10.540 1.00 32.02 C ATOM 0 H ILE A 11 3.588 3.634 12.499 1.00 64.34 H new ATOM 0 HA ILE A 11 1.626 3.760 10.359 1.00 50.02 H new ATOM 0 HB ILE A 11 2.774 1.930 9.090 1.00 43.41 H new ATOM 0 HG12 ILE A 11 5.399 2.018 9.620 1.00 61.13 H new ATOM 0 HG13 ILE A 11 4.819 2.389 11.232 1.00 61.13 H new ATOM 0 HG21 ILE A 11 4.446 3.375 8.000 1.00 31.02 H new ATOM 0 HG22 ILE A 11 2.936 4.255 8.334 1.00 31.02 H new ATOM 0 HG23 ILE A 11 4.360 4.505 9.372 1.00 31.02 H new ATOM 0 HD11 ILE A 11 5.193 -0.014 10.966 1.00 32.02 H new ATOM 0 HD12 ILE A 11 3.466 0.323 11.235 1.00 32.02 H new ATOM 0 HD13 ILE A 11 4.055 -0.053 9.598 1.00 32.02 H new ATOM 181 N PHE A 12 0.651 1.583 11.187 1.00 64.20 N ATOM 182 CA PHE A 12 -0.020 0.467 11.844 1.00 0.41 C ATOM 183 C PHE A 12 0.506 -0.867 11.323 1.00 14.00 C ATOM 184 O PHE A 12 0.298 -1.217 10.162 1.00 75.41 O ATOM 185 CB PHE A 12 -1.532 0.554 11.625 1.00 62.34 C ATOM 186 CG PHE A 12 -2.249 1.329 12.692 1.00 32.14 C ATOM 187 CD1 PHE A 12 -1.858 2.619 13.011 1.00 13.33 C ATOM 188 CD2 PHE A 12 -3.314 0.767 13.378 1.00 73.12 C ATOM 189 CE1 PHE A 12 -2.517 3.336 13.993 1.00 24.31 C ATOM 190 CE2 PHE A 12 -3.977 1.479 14.360 1.00 24.52 C ATOM 191 CZ PHE A 12 -3.577 2.764 14.669 1.00 25.01 C ATOM 0 H PHE A 12 0.127 1.994 10.414 1.00 64.20 H new ATOM 0 HA PHE A 12 0.189 0.527 12.912 1.00 0.41 H new ATOM 0 HB2 PHE A 12 -1.725 1.019 10.658 1.00 62.34 H new ATOM 0 HB3 PHE A 12 -1.943 -0.455 11.581 1.00 62.34 H new ATOM 0 HD1 PHE A 12 -1.029 3.070 12.487 1.00 13.33 H new ATOM 0 HD2 PHE A 12 -3.630 -0.239 13.143 1.00 73.12 H new ATOM 0 HE1 PHE A 12 -2.203 4.342 14.231 1.00 24.31 H new ATOM 0 HE2 PHE A 12 -4.807 1.031 14.885 1.00 24.52 H new ATOM 0 HZ PHE A 12 -4.092 3.321 15.438 1.00 25.01 H new ATOM 201 N ALA A 13 1.188 -1.607 12.191 1.00 45.43 N ATOM 202 CA ALA A 13 1.743 -2.903 11.820 1.00 50.43 C ATOM 203 C ALA A 13 0.671 -3.987 11.850 1.00 64.13 C ATOM 204 O ALA A 13 0.002 -4.186 12.864 1.00 41.51 O ATOM 205 CB ALA A 13 2.894 -3.269 12.745 1.00 15.15 C ATOM 0 H ALA A 13 1.369 -1.331 13.156 1.00 45.43 H new ATOM 0 HA ALA A 13 2.121 -2.831 10.800 1.00 50.43 H new ATOM 0 HB1 ALA A 13 3.299 -4.239 12.456 1.00 15.15 H new ATOM 0 HB2 ALA A 13 3.676 -2.513 12.670 1.00 15.15 H new ATOM 0 HB3 ALA A 13 2.534 -3.318 13.773 1.00 15.15 H new ATOM 211 N LYS A 14 0.513 -4.687 10.731 1.00 12.33 N ATOM 212 CA LYS A 14 -0.477 -5.752 10.629 1.00 73.14 C ATOM 213 C LYS A 14 0.196 -7.121 10.614 1.00 11.23 C ATOM 214 O LYS A 14 0.790 -7.520 9.613 1.00 3.14 O ATOM 215 CB LYS A 14 -1.320 -5.573 9.364 1.00 61.23 C ATOM 216 CG LYS A 14 -2.359 -6.663 9.166 1.00 14.12 C ATOM 217 CD LYS A 14 -3.537 -6.488 10.110 1.00 12.32 C ATOM 218 CE LYS A 14 -4.702 -7.384 9.720 1.00 32.43 C ATOM 219 NZ LYS A 14 -4.275 -8.798 9.531 1.00 63.30 N ATOM 0 H LYS A 14 1.058 -4.535 9.882 1.00 12.33 H new ATOM 0 HA LYS A 14 -1.126 -5.695 11.503 1.00 73.14 H new ATOM 0 HB2 LYS A 14 -1.823 -4.607 9.406 1.00 61.23 H new ATOM 0 HB3 LYS A 14 -0.659 -5.551 8.497 1.00 61.23 H new ATOM 0 HG2 LYS A 14 -2.712 -6.647 8.135 1.00 14.12 H new ATOM 0 HG3 LYS A 14 -1.901 -7.638 9.331 1.00 14.12 H new ATOM 0 HD2 LYS A 14 -3.225 -6.718 11.129 1.00 12.32 H new ATOM 0 HD3 LYS A 14 -3.859 -5.447 10.102 1.00 12.32 H new ATOM 0 HE2 LYS A 14 -5.471 -7.337 10.491 1.00 32.43 H new ATOM 0 HE3 LYS A 14 -5.152 -7.014 8.799 1.00 32.43 H new ATOM 0 HZ1 LYS A 14 -5.101 -9.380 9.282 1.00 63.30 H new ATOM 0 HZ2 LYS A 14 -3.572 -8.849 8.766 1.00 63.30 H new ATOM 0 HZ3 LYS A 14 -3.853 -9.154 10.412 1.00 63.30 H new ATOM 233 N MET A 15 0.097 -7.836 11.730 1.00 11.44 N ATOM 234 CA MET A 15 0.694 -9.161 11.844 1.00 24.01 C ATOM 235 C MET A 15 -0.264 -10.235 11.339 1.00 14.43 C ATOM 236 O MET A 15 -1.456 -10.211 11.646 1.00 35.34 O ATOM 237 CB MET A 15 1.080 -9.447 13.297 1.00 70.23 C ATOM 238 CG MET A 15 2.560 -9.248 13.583 1.00 35.41 C ATOM 239 SD MET A 15 3.079 -10.027 15.124 1.00 24.01 S ATOM 240 CE MET A 15 3.748 -11.573 14.514 1.00 54.32 C ATOM 0 H MET A 15 -0.391 -7.520 12.568 1.00 11.44 H new ATOM 0 HA MET A 15 1.592 -9.181 11.226 1.00 24.01 H new ATOM 0 HB2 MET A 15 0.501 -8.797 13.953 1.00 70.23 H new ATOM 0 HB3 MET A 15 0.806 -10.473 13.542 1.00 70.23 H new ATOM 0 HG2 MET A 15 3.144 -9.657 12.759 1.00 35.41 H new ATOM 0 HG3 MET A 15 2.777 -8.181 13.628 1.00 35.41 H new ATOM 0 HE1 MET A 15 4.111 -12.168 15.352 1.00 54.32 H new ATOM 0 HE2 MET A 15 2.969 -12.124 13.988 1.00 54.32 H new ATOM 0 HE3 MET A 15 4.572 -11.368 13.830 1.00 54.32 H new ATOM 250 N LYS A 16 0.263 -11.175 10.563 1.00 42.02 N ATOM 251 CA LYS A 16 -0.545 -12.258 10.016 1.00 61.43 C ATOM 252 C LYS A 16 -1.321 -12.969 11.120 1.00 72.13 C ATOM 253 O LYS A 16 -0.739 -13.656 11.958 1.00 60.12 O ATOM 254 CB LYS A 16 0.343 -13.261 9.276 1.00 43.05 C ATOM 255 CG LYS A 16 0.832 -12.761 7.927 1.00 75.21 C ATOM 256 CD LYS A 16 1.506 -13.867 7.133 1.00 23.42 C ATOM 257 CE LYS A 16 0.487 -14.746 6.424 1.00 41.22 C ATOM 258 NZ LYS A 16 1.056 -15.380 5.203 1.00 60.15 N ATOM 0 H LYS A 16 1.247 -11.209 10.298 1.00 42.02 H new ATOM 0 HA LYS A 16 -1.259 -11.826 9.314 1.00 61.43 H new ATOM 0 HB2 LYS A 16 1.204 -13.500 9.900 1.00 43.05 H new ATOM 0 HB3 LYS A 16 -0.212 -14.188 9.131 1.00 43.05 H new ATOM 0 HG2 LYS A 16 -0.009 -12.364 7.358 1.00 75.21 H new ATOM 0 HG3 LYS A 16 1.533 -11.939 8.075 1.00 75.21 H new ATOM 0 HD2 LYS A 16 2.183 -13.429 6.399 1.00 23.42 H new ATOM 0 HD3 LYS A 16 2.113 -14.478 7.801 1.00 23.42 H new ATOM 0 HE2 LYS A 16 0.138 -15.521 7.107 1.00 41.22 H new ATOM 0 HE3 LYS A 16 -0.382 -14.147 6.151 1.00 41.22 H new ATOM 0 HZ1 LYS A 16 0.331 -15.971 4.748 1.00 60.15 H new ATOM 0 HZ2 LYS A 16 1.366 -14.641 4.540 1.00 60.15 H new ATOM 0 HZ3 LYS A 16 1.870 -15.972 5.466 1.00 60.15 H new ATOM 272 N GLY A 17 -2.640 -12.800 11.113 1.00 51.01 N ATOM 273 CA GLY A 17 -3.474 -13.433 12.118 1.00 53.23 C ATOM 274 C GLY A 17 -3.825 -12.494 13.255 1.00 30.00 C ATOM 275 O GLY A 17 -4.293 -12.930 14.307 1.00 12.01 O ATOM 0 H GLY A 17 -3.146 -12.236 10.430 1.00 51.01 H new ATOM 0 HA2 GLY A 17 -4.391 -13.792 11.651 1.00 53.23 H new ATOM 0 HA3 GLY A 17 -2.957 -14.305 12.518 1.00 53.23 H new ATOM 279 N TYR A 18 -3.597 -11.202 13.045 1.00 31.44 N ATOM 280 CA TYR A 18 -3.888 -10.200 14.063 1.00 12.22 C ATOM 281 C TYR A 18 -4.316 -8.882 13.424 1.00 64.33 C ATOM 282 O TYR A 18 -3.943 -8.560 12.295 1.00 22.43 O ATOM 283 CB TYR A 18 -2.664 -9.975 14.952 1.00 1.51 C ATOM 284 CG TYR A 18 -2.002 -11.256 15.407 1.00 10.41 C ATOM 285 CD1 TYR A 18 -1.094 -11.919 14.592 1.00 61.42 C ATOM 286 CD2 TYR A 18 -2.284 -11.802 16.653 1.00 15.43 C ATOM 287 CE1 TYR A 18 -0.488 -13.090 15.003 1.00 24.44 C ATOM 288 CE2 TYR A 18 -1.682 -12.971 17.074 1.00 62.42 C ATOM 289 CZ TYR A 18 -0.785 -13.612 16.245 1.00 25.32 C ATOM 290 OH TYR A 18 -0.182 -14.778 16.659 1.00 4.24 O ATOM 0 H TYR A 18 -3.212 -10.824 12.179 1.00 31.44 H new ATOM 0 HA TYR A 18 -4.710 -10.570 14.675 1.00 12.22 H new ATOM 0 HB2 TYR A 18 -1.936 -9.373 14.408 1.00 1.51 H new ATOM 0 HB3 TYR A 18 -2.963 -9.399 15.828 1.00 1.51 H new ATOM 0 HD1 TYR A 18 -0.858 -11.512 13.620 1.00 61.42 H new ATOM 0 HD2 TYR A 18 -2.987 -11.303 17.304 1.00 15.43 H new ATOM 0 HE1 TYR A 18 0.214 -13.594 14.356 1.00 24.44 H new ATOM 0 HE2 TYR A 18 -1.912 -13.381 18.046 1.00 62.42 H new ATOM 0 HH TYR A 18 -0.499 -15.009 17.557 1.00 4.24 H new ATOM 300 N PRO A 19 -5.117 -8.100 14.162 1.00 74.32 N ATOM 301 CA PRO A 19 -5.613 -6.804 13.689 1.00 61.21 C ATOM 302 C PRO A 19 -4.508 -5.757 13.603 1.00 64.31 C ATOM 303 O PRO A 19 -3.374 -6.001 14.017 1.00 22.41 O ATOM 304 CB PRO A 19 -6.642 -6.409 14.751 1.00 72.22 C ATOM 305 CG PRO A 19 -6.211 -7.128 15.982 1.00 31.13 C ATOM 306 CD PRO A 19 -5.601 -8.421 15.515 1.00 14.11 C ATOM 0 HA PRO A 19 -6.023 -6.868 12.681 1.00 61.21 H new ATOM 0 HB2 PRO A 19 -6.656 -5.330 14.907 1.00 72.22 H new ATOM 0 HB3 PRO A 19 -7.649 -6.701 14.454 1.00 72.22 H new ATOM 0 HG2 PRO A 19 -5.489 -6.537 16.546 1.00 31.13 H new ATOM 0 HG3 PRO A 19 -7.058 -7.312 16.643 1.00 31.13 H new ATOM 0 HD2 PRO A 19 -4.788 -8.741 16.167 1.00 14.11 H new ATOM 0 HD3 PRO A 19 -6.333 -9.228 15.499 1.00 14.11 H new ATOM 314 N HIS A 20 -4.845 -4.590 13.063 1.00 22.32 N ATOM 315 CA HIS A 20 -3.880 -3.505 12.924 1.00 32.11 C ATOM 316 C HIS A 20 -3.549 -2.895 14.283 1.00 71.02 C ATOM 317 O HIS A 20 -4.402 -2.828 15.168 1.00 22.41 O ATOM 318 CB HIS A 20 -4.425 -2.427 11.987 1.00 13.11 C ATOM 319 CG HIS A 20 -4.902 -2.961 10.672 1.00 65.54 C ATOM 320 ND1 HIS A 20 -6.130 -3.565 10.505 1.00 52.22 N ATOM 321 CD2 HIS A 20 -4.307 -2.979 9.456 1.00 71.43 C ATOM 322 CE1 HIS A 20 -6.270 -3.932 9.244 1.00 72.34 C ATOM 323 NE2 HIS A 20 -5.178 -3.588 8.586 1.00 61.04 N ATOM 0 H HIS A 20 -5.778 -4.372 12.715 1.00 22.32 H new ATOM 0 HA HIS A 20 -2.965 -3.917 12.498 1.00 32.11 H new ATOM 0 HB2 HIS A 20 -5.249 -1.911 12.480 1.00 13.11 H new ATOM 0 HB3 HIS A 20 -3.646 -1.686 11.808 1.00 13.11 H new ATOM 0 HD2 HIS A 20 -3.330 -2.587 9.215 1.00 71.43 H new ATOM 0 HE1 HIS A 20 -7.131 -4.429 8.823 1.00 72.34 H new ATOM 0 HE2 HIS A 20 -5.009 -3.748 7.593 1.00 61.04 H new ATOM 331 N TRP A 21 -2.307 -2.452 14.440 1.00 61.50 N ATOM 332 CA TRP A 21 -1.863 -1.849 15.691 1.00 15.35 C ATOM 333 C TRP A 21 -0.804 -0.782 15.436 1.00 32.31 C ATOM 334 O TRP A 21 0.095 -0.951 14.612 1.00 21.54 O ATOM 335 CB TRP A 21 -1.309 -2.921 16.631 1.00 72.23 C ATOM 336 CG TRP A 21 -0.703 -2.360 17.881 1.00 14.14 C ATOM 337 CD1 TRP A 21 0.549 -1.833 18.021 1.00 70.24 C ATOM 338 CD2 TRP A 21 -1.323 -2.272 19.169 1.00 53.51 C ATOM 339 NE1 TRP A 21 0.745 -1.423 19.317 1.00 11.22 N ATOM 340 CE2 TRP A 21 -0.389 -1.680 20.041 1.00 10.24 C ATOM 341 CE3 TRP A 21 -2.577 -2.633 19.669 1.00 12.42 C ATOM 342 CZ2 TRP A 21 -0.671 -1.444 21.384 1.00 1.43 C ATOM 343 CZ3 TRP A 21 -2.855 -2.398 21.002 1.00 12.33 C ATOM 344 CH2 TRP A 21 -1.906 -1.807 21.847 1.00 32.23 C ATOM 0 H TRP A 21 -1.590 -2.499 13.717 1.00 61.50 H new ATOM 0 HA TRP A 21 -2.724 -1.374 16.161 1.00 15.35 H new ATOM 0 HB2 TRP A 21 -2.112 -3.607 16.901 1.00 72.23 H new ATOM 0 HB3 TRP A 21 -0.556 -3.505 16.101 1.00 72.23 H new ATOM 0 HD1 TRP A 21 1.278 -1.751 17.229 1.00 70.24 H new ATOM 0 HE1 TRP A 21 1.597 -0.996 19.681 1.00 11.22 H new ATOM 0 HE3 TRP A 21 -3.316 -3.087 19.025 1.00 12.42 H new ATOM 0 HZ2 TRP A 21 0.060 -0.990 22.037 1.00 1.43 H new ATOM 0 HZ3 TRP A 21 -3.820 -2.675 21.400 1.00 12.33 H new ATOM 0 HH2 TRP A 21 -2.154 -1.635 22.884 1.00 32.23 H new ATOM 355 N PRO A 22 -0.910 0.343 16.158 1.00 41.32 N ATOM 356 CA PRO A 22 0.032 1.459 16.027 1.00 53.12 C ATOM 357 C PRO A 22 1.413 1.120 16.577 1.00 72.20 C ATOM 358 O PRO A 22 1.571 0.870 17.772 1.00 42.35 O ATOM 359 CB PRO A 22 -0.617 2.570 16.857 1.00 25.30 C ATOM 360 CG PRO A 22 -1.465 1.854 17.851 1.00 61.13 C ATOM 361 CD PRO A 22 -1.957 0.613 17.158 1.00 44.22 C ATOM 0 HA PRO A 22 0.201 1.730 14.985 1.00 53.12 H new ATOM 0 HB2 PRO A 22 0.135 3.187 17.349 1.00 25.30 H new ATOM 0 HB3 PRO A 22 -1.214 3.234 16.232 1.00 25.30 H new ATOM 0 HG2 PRO A 22 -0.892 1.602 18.743 1.00 61.13 H new ATOM 0 HG3 PRO A 22 -2.299 2.477 18.174 1.00 61.13 H new ATOM 0 HD2 PRO A 22 -2.071 -0.218 17.854 1.00 44.22 H new ATOM 0 HD3 PRO A 22 -2.928 0.772 16.690 1.00 44.22 H new ATOM 369 N ALA A 23 2.410 1.113 15.698 1.00 75.21 N ATOM 370 CA ALA A 23 3.778 0.807 16.097 1.00 73.42 C ATOM 371 C ALA A 23 4.760 1.810 15.503 1.00 3.31 C ATOM 372 O ALA A 23 4.359 2.780 14.859 1.00 32.31 O ATOM 373 CB ALA A 23 4.146 -0.608 15.675 1.00 22.23 C ATOM 0 H ALA A 23 2.296 1.316 14.705 1.00 75.21 H new ATOM 0 HA ALA A 23 3.839 0.878 17.183 1.00 73.42 H new ATOM 0 HB1 ALA A 23 5.170 -0.824 15.979 1.00 22.23 H new ATOM 0 HB2 ALA A 23 3.469 -1.317 16.151 1.00 22.23 H new ATOM 0 HB3 ALA A 23 4.063 -0.698 14.592 1.00 22.23 H new ATOM 379 N ARG A 24 6.049 1.572 15.725 1.00 72.13 N ATOM 380 CA ARG A 24 7.088 2.457 15.213 1.00 25.40 C ATOM 381 C ARG A 24 8.083 1.685 14.351 1.00 62.12 C ATOM 382 O ARG A 24 8.320 0.497 14.570 1.00 75.34 O ATOM 383 CB ARG A 24 7.822 3.139 16.369 1.00 14.32 C ATOM 384 CG ARG A 24 9.002 3.988 15.926 1.00 62.53 C ATOM 385 CD ARG A 24 10.311 3.221 16.034 1.00 30.22 C ATOM 386 NE ARG A 24 10.640 2.892 17.419 1.00 54.13 N ATOM 387 CZ ARG A 24 11.627 2.074 17.765 1.00 31.23 C ATOM 388 NH1 ARG A 24 12.379 1.505 16.833 1.00 34.52 N ATOM 389 NH2 ARG A 24 11.864 1.824 19.047 1.00 63.14 N ATOM 0 H ARG A 24 6.398 0.774 16.256 1.00 72.13 H new ATOM 0 HA ARG A 24 6.610 3.217 14.595 1.00 25.40 H new ATOM 0 HB2 ARG A 24 7.118 3.767 16.915 1.00 14.32 H new ATOM 0 HB3 ARG A 24 8.174 2.377 17.064 1.00 14.32 H new ATOM 0 HG2 ARG A 24 8.853 4.312 14.896 1.00 62.53 H new ATOM 0 HG3 ARG A 24 9.055 4.888 16.539 1.00 62.53 H new ATOM 0 HD2 ARG A 24 10.243 2.303 15.450 1.00 30.22 H new ATOM 0 HD3 ARG A 24 11.116 3.815 15.601 1.00 30.22 H new ATOM 0 HE ARG A 24 10.081 3.314 18.161 1.00 54.13 H new ATOM 0 HH11 ARG A 24 12.200 1.695 15.847 1.00 34.52 H new ATOM 0 HH12 ARG A 24 13.136 0.877 17.102 1.00 34.52 H new ATOM 0 HH21 ARG A 24 11.288 2.260 19.767 1.00 63.14 H new ATOM 0 HH22 ARG A 24 12.622 1.196 19.312 1.00 63.14 H new ATOM 403 N VAL A 25 8.663 2.369 13.369 1.00 21.35 N ATOM 404 CA VAL A 25 9.633 1.748 12.474 1.00 14.35 C ATOM 405 C VAL A 25 11.059 2.000 12.950 1.00 20.43 C ATOM 406 O VAL A 25 11.403 3.111 13.354 1.00 61.40 O ATOM 407 CB VAL A 25 9.483 2.274 11.034 1.00 24.33 C ATOM 408 CG1 VAL A 25 10.520 1.635 10.123 1.00 60.13 C ATOM 409 CG2 VAL A 25 8.076 2.017 10.517 1.00 0.12 C ATOM 0 H VAL A 25 8.478 3.353 13.173 1.00 21.35 H new ATOM 0 HA VAL A 25 9.434 0.676 12.484 1.00 14.35 H new ATOM 0 HB VAL A 25 9.652 3.351 11.039 1.00 24.33 H new ATOM 0 HG11 VAL A 25 10.399 2.018 9.110 1.00 60.13 H new ATOM 0 HG12 VAL A 25 11.520 1.875 10.485 1.00 60.13 H new ATOM 0 HG13 VAL A 25 10.385 0.553 10.121 1.00 60.13 H new ATOM 0 HG21 VAL A 25 7.988 2.395 9.498 1.00 0.12 H new ATOM 0 HG22 VAL A 25 7.875 0.946 10.525 1.00 0.12 H new ATOM 0 HG23 VAL A 25 7.355 2.526 11.156 1.00 0.12 H new ATOM 419 N ASP A 26 11.885 0.961 12.899 1.00 22.44 N ATOM 420 CA ASP A 26 13.276 1.068 13.324 1.00 43.42 C ATOM 421 C ASP A 26 14.207 1.150 12.118 1.00 25.42 C ATOM 422 O ASP A 26 13.793 0.908 10.985 1.00 11.21 O ATOM 423 CB ASP A 26 13.659 -0.126 14.200 1.00 54.33 C ATOM 424 CG ASP A 26 14.774 0.203 15.172 1.00 1.22 C ATOM 425 OD1 ASP A 26 14.909 1.388 15.543 1.00 55.44 O ATOM 426 OD2 ASP A 26 15.512 -0.725 15.564 1.00 42.34 O ATOM 0 H ASP A 26 11.616 0.035 12.568 1.00 22.44 H new ATOM 0 HA ASP A 26 13.383 1.983 13.906 1.00 43.42 H new ATOM 0 HB2 ASP A 26 12.783 -0.461 14.756 1.00 54.33 H new ATOM 0 HB3 ASP A 26 13.969 -0.955 13.564 1.00 54.33 H new ATOM 431 N GLU A 27 15.467 1.492 12.371 1.00 12.04 N ATOM 432 CA GLU A 27 16.456 1.607 11.306 1.00 75.22 C ATOM 433 C GLU A 27 17.103 0.256 11.017 1.00 60.44 C ATOM 434 O GLU A 27 16.957 -0.693 11.787 1.00 33.32 O ATOM 435 CB GLU A 27 17.530 2.629 11.684 1.00 34.22 C ATOM 436 CG GLU A 27 17.986 3.491 10.520 1.00 43.24 C ATOM 437 CD GLU A 27 18.947 4.585 10.945 1.00 31.30 C ATOM 438 OE1 GLU A 27 19.383 4.570 12.115 1.00 61.01 O ATOM 439 OE2 GLU A 27 19.263 5.455 10.107 1.00 55.30 O ATOM 0 H GLU A 27 15.826 1.694 13.304 1.00 12.04 H new ATOM 0 HA GLU A 27 15.944 1.946 10.405 1.00 75.22 H new ATOM 0 HB2 GLU A 27 17.144 3.274 12.473 1.00 34.22 H new ATOM 0 HB3 GLU A 27 18.392 2.103 12.095 1.00 34.22 H new ATOM 0 HG2 GLU A 27 18.467 2.860 9.772 1.00 43.24 H new ATOM 0 HG3 GLU A 27 17.115 3.942 10.044 1.00 43.24 H new ATOM 446 N VAL A 28 17.819 0.176 9.900 1.00 44.24 N ATOM 447 CA VAL A 28 18.490 -1.058 9.508 1.00 41.44 C ATOM 448 C VAL A 28 19.541 -1.462 10.535 1.00 21.13 C ATOM 449 O VAL A 28 20.076 -0.633 11.272 1.00 20.51 O ATOM 450 CB VAL A 28 19.163 -0.917 8.129 1.00 21.13 C ATOM 451 CG1 VAL A 28 18.119 -0.910 7.023 1.00 12.44 C ATOM 452 CG2 VAL A 28 20.015 0.342 8.079 1.00 55.55 C ATOM 0 H VAL A 28 17.949 0.951 9.250 1.00 44.24 H new ATOM 0 HA VAL A 28 17.724 -1.831 9.453 1.00 41.44 H new ATOM 0 HB VAL A 28 19.816 -1.776 7.973 1.00 21.13 H new ATOM 0 HG11 VAL A 28 18.613 -0.810 6.057 1.00 12.44 H new ATOM 0 HG12 VAL A 28 17.557 -1.843 7.048 1.00 12.44 H new ATOM 0 HG13 VAL A 28 17.438 -0.072 7.171 1.00 12.44 H new ATOM 0 HG21 VAL A 28 20.483 0.426 7.098 1.00 55.55 H new ATOM 0 HG22 VAL A 28 19.386 1.214 8.257 1.00 55.55 H new ATOM 0 HG23 VAL A 28 20.787 0.289 8.846 1.00 55.55 H new ATOM 462 N PRO A 29 19.846 -2.767 10.587 1.00 21.23 N ATOM 463 CA PRO A 29 20.837 -3.312 11.520 1.00 32.14 C ATOM 464 C PRO A 29 22.259 -2.893 11.165 1.00 24.52 C ATOM 465 O PRO A 29 22.486 -2.225 10.156 1.00 24.34 O ATOM 466 CB PRO A 29 20.671 -4.826 11.369 1.00 24.30 C ATOM 467 CG PRO A 29 20.115 -5.012 9.999 1.00 5.44 C ATOM 468 CD PRO A 29 19.248 -3.811 9.739 1.00 72.53 C ATOM 0 HA PRO A 29 20.681 -2.952 12.537 1.00 32.14 H new ATOM 0 HB2 PRO A 29 21.624 -5.342 11.483 1.00 24.30 H new ATOM 0 HB3 PRO A 29 19.999 -5.228 12.127 1.00 24.30 H new ATOM 0 HG2 PRO A 29 20.913 -5.085 9.260 1.00 5.44 H new ATOM 0 HG3 PRO A 29 19.536 -5.933 9.934 1.00 5.44 H new ATOM 0 HD2 PRO A 29 19.259 -3.528 8.686 1.00 72.53 H new ATOM 0 HD3 PRO A 29 18.209 -4.000 10.008 1.00 72.53 H new ATOM 476 N ASP A 30 23.214 -3.291 12.000 1.00 54.34 N ATOM 477 CA ASP A 30 24.615 -2.958 11.772 1.00 2.25 C ATOM 478 C ASP A 30 25.100 -3.526 10.442 1.00 20.14 C ATOM 479 O ASP A 30 26.103 -3.075 9.892 1.00 44.22 O ATOM 480 CB ASP A 30 25.480 -3.492 12.915 1.00 20.22 C ATOM 481 CG ASP A 30 26.904 -2.975 12.854 1.00 31.21 C ATOM 482 OD1 ASP A 30 27.086 -1.765 12.605 1.00 51.12 O ATOM 483 OD2 ASP A 30 27.836 -3.781 13.057 1.00 43.44 O ATOM 0 H ASP A 30 23.043 -3.844 12.840 1.00 54.34 H new ATOM 0 HA ASP A 30 24.704 -1.872 11.736 1.00 2.25 H new ATOM 0 HB2 ASP A 30 25.034 -3.207 13.868 1.00 20.22 H new ATOM 0 HB3 ASP A 30 25.490 -4.581 12.881 1.00 20.22 H new ATOM 488 N GLY A 31 24.380 -4.521 9.932 1.00 42.33 N ATOM 489 CA GLY A 31 24.753 -5.135 8.671 1.00 23.21 C ATOM 490 C GLY A 31 24.964 -6.631 8.795 1.00 24.14 C ATOM 491 O GLY A 31 24.600 -7.393 7.900 1.00 41.51 O ATOM 0 H GLY A 31 23.546 -4.912 10.369 1.00 42.33 H new ATOM 0 HA2 GLY A 31 23.976 -4.941 7.932 1.00 23.21 H new ATOM 0 HA3 GLY A 31 25.668 -4.672 8.301 1.00 23.21 H new ATOM 495 N ALA A 32 25.556 -7.053 9.908 1.00 20.20 N ATOM 496 CA ALA A 32 25.815 -8.468 10.146 1.00 12.22 C ATOM 497 C ALA A 32 24.957 -8.998 11.290 1.00 54.12 C ATOM 498 O ALA A 32 25.289 -10.006 11.914 1.00 43.25 O ATOM 499 CB ALA A 32 27.290 -8.692 10.443 1.00 1.32 C ATOM 0 H ALA A 32 25.865 -6.435 10.659 1.00 20.20 H new ATOM 0 HA ALA A 32 25.550 -9.017 9.243 1.00 12.22 H new ATOM 0 HB1 ALA A 32 27.469 -9.753 10.619 1.00 1.32 H new ATOM 0 HB2 ALA A 32 27.887 -8.359 9.594 1.00 1.32 H new ATOM 0 HB3 ALA A 32 27.573 -8.125 11.330 1.00 1.32 H new ATOM 505 N VAL A 33 23.851 -8.312 11.561 1.00 74.01 N ATOM 506 CA VAL A 33 22.944 -8.714 12.630 1.00 62.33 C ATOM 507 C VAL A 33 21.811 -9.580 12.092 1.00 73.50 C ATOM 508 O VAL A 33 20.685 -9.529 12.589 1.00 24.21 O ATOM 509 CB VAL A 33 22.344 -7.491 13.347 1.00 4.53 C ATOM 510 CG1 VAL A 33 21.758 -7.894 14.692 1.00 42.14 C ATOM 511 CG2 VAL A 33 23.397 -6.406 13.519 1.00 12.42 C ATOM 0 H VAL A 33 23.561 -7.475 11.055 1.00 74.01 H new ATOM 0 HA VAL A 33 23.532 -9.291 13.343 1.00 62.33 H new ATOM 0 HB VAL A 33 21.538 -7.090 12.732 1.00 4.53 H new ATOM 0 HG11 VAL A 33 21.339 -7.016 15.184 1.00 42.14 H new ATOM 0 HG12 VAL A 33 20.973 -8.634 14.540 1.00 42.14 H new ATOM 0 HG13 VAL A 33 22.542 -8.320 15.317 1.00 42.14 H new ATOM 0 HG21 VAL A 33 22.956 -5.549 14.028 1.00 12.42 H new ATOM 0 HG22 VAL A 33 24.225 -6.794 14.112 1.00 12.42 H new ATOM 0 HG23 VAL A 33 23.765 -6.098 12.540 1.00 12.42 H new ATOM 521 N LYS A 34 22.115 -10.377 11.073 1.00 75.11 N ATOM 522 CA LYS A 34 21.123 -11.257 10.467 1.00 35.30 C ATOM 523 C LYS A 34 19.858 -10.485 10.105 1.00 1.41 C ATOM 524 O LYS A 34 18.795 -10.676 10.695 1.00 13.44 O ATOM 525 CB LYS A 34 20.777 -12.403 11.421 1.00 62.33 C ATOM 526 CG LYS A 34 20.373 -13.684 10.711 1.00 21.23 C ATOM 527 CD LYS A 34 18.864 -13.791 10.569 1.00 1.33 C ATOM 528 CE LYS A 34 18.190 -13.994 11.918 1.00 43.43 C ATOM 529 NZ LYS A 34 17.903 -15.430 12.183 1.00 34.34 N ATOM 0 H LYS A 34 23.041 -10.431 10.649 1.00 75.11 H new ATOM 0 HA LYS A 34 21.551 -11.669 9.553 1.00 35.30 H new ATOM 0 HB2 LYS A 34 21.638 -12.607 12.058 1.00 62.33 H new ATOM 0 HB3 LYS A 34 19.964 -12.088 12.075 1.00 62.33 H new ATOM 0 HG2 LYS A 34 20.835 -13.715 9.724 1.00 21.23 H new ATOM 0 HG3 LYS A 34 20.749 -14.543 11.267 1.00 21.23 H new ATOM 0 HD2 LYS A 34 18.477 -12.887 10.100 1.00 1.33 H new ATOM 0 HD3 LYS A 34 18.618 -14.623 9.909 1.00 1.33 H new ATOM 0 HE2 LYS A 34 18.830 -13.600 12.707 1.00 43.43 H new ATOM 0 HE3 LYS A 34 17.260 -13.426 11.949 1.00 43.43 H new ATOM 0 HZ1 LYS A 34 17.444 -15.527 13.111 1.00 34.34 H new ATOM 0 HZ2 LYS A 34 17.271 -15.800 11.444 1.00 34.34 H new ATOM 0 HZ3 LYS A 34 18.793 -15.968 12.179 1.00 34.34 H new ATOM 543 N PRO A 35 19.973 -9.592 9.111 1.00 45.31 N ATOM 544 CA PRO A 35 18.849 -8.774 8.647 1.00 73.01 C ATOM 545 C PRO A 35 17.795 -9.599 7.916 1.00 42.15 C ATOM 546 O PRO A 35 18.027 -10.745 7.529 1.00 3.32 O ATOM 547 CB PRO A 35 19.506 -7.777 7.690 1.00 43.23 C ATOM 548 CG PRO A 35 20.739 -8.465 7.213 1.00 34.23 C ATOM 549 CD PRO A 35 21.211 -9.312 8.363 1.00 54.02 C ATOM 0 HA PRO A 35 18.318 -8.304 9.475 1.00 73.01 H new ATOM 0 HB2 PRO A 35 18.844 -7.530 6.860 1.00 43.23 H new ATOM 0 HB3 PRO A 35 19.745 -6.842 8.196 1.00 43.23 H new ATOM 0 HG2 PRO A 35 20.530 -9.078 6.337 1.00 34.23 H new ATOM 0 HG3 PRO A 35 21.501 -7.742 6.922 1.00 34.23 H new ATOM 0 HD2 PRO A 35 21.688 -10.229 8.017 1.00 54.02 H new ATOM 0 HD3 PRO A 35 21.941 -8.785 8.977 1.00 54.02 H new ATOM 557 N PRO A 36 16.609 -9.005 7.719 1.00 33.04 N ATOM 558 CA PRO A 36 15.496 -9.667 7.032 1.00 61.11 C ATOM 559 C PRO A 36 15.762 -9.849 5.541 1.00 34.34 C ATOM 560 O PRO A 36 16.766 -9.368 5.015 1.00 32.22 O ATOM 561 CB PRO A 36 14.322 -8.710 7.253 1.00 44.31 C ATOM 562 CG PRO A 36 14.955 -7.377 7.459 1.00 53.41 C ATOM 563 CD PRO A 36 16.262 -7.641 8.153 1.00 21.21 C ATOM 0 HA PRO A 36 15.321 -10.673 7.415 1.00 61.11 H new ATOM 0 HB2 PRO A 36 13.651 -8.701 6.394 1.00 44.31 H new ATOM 0 HB3 PRO A 36 13.728 -9.005 8.118 1.00 44.31 H new ATOM 0 HG2 PRO A 36 15.114 -6.870 6.508 1.00 53.41 H new ATOM 0 HG3 PRO A 36 14.317 -6.731 8.062 1.00 53.41 H new ATOM 0 HD2 PRO A 36 17.025 -6.920 7.861 1.00 21.21 H new ATOM 0 HD3 PRO A 36 16.162 -7.577 9.237 1.00 21.21 H new ATOM 571 N THR A 37 14.855 -10.547 4.864 1.00 31.03 N ATOM 572 CA THR A 37 14.992 -10.793 3.434 1.00 34.33 C ATOM 573 C THR A 37 14.029 -9.925 2.632 1.00 34.44 C ATOM 574 O THR A 37 14.321 -9.539 1.502 1.00 43.12 O ATOM 575 CB THR A 37 14.737 -12.273 3.092 1.00 22.43 C ATOM 576 OG1 THR A 37 14.838 -12.474 1.678 1.00 53.30 O ATOM 577 CG2 THR A 37 13.363 -12.712 3.575 1.00 10.03 C ATOM 0 H THR A 37 14.018 -10.952 5.283 1.00 31.03 H new ATOM 0 HA THR A 37 16.017 -10.537 3.166 1.00 34.33 H new ATOM 0 HB THR A 37 15.492 -12.875 3.599 1.00 22.43 H new ATOM 0 HG1 THR A 37 14.676 -13.418 1.469 1.00 53.30 H new ATOM 0 HG21 THR A 37 13.206 -13.761 3.322 1.00 10.03 H new ATOM 0 HG22 THR A 37 13.300 -12.586 4.656 1.00 10.03 H new ATOM 0 HG23 THR A 37 12.597 -12.104 3.094 1.00 10.03 H new ATOM 585 N ASN A 38 12.879 -9.622 3.226 1.00 74.03 N ATOM 586 CA ASN A 38 11.872 -8.799 2.566 1.00 51.24 C ATOM 587 C ASN A 38 10.943 -8.151 3.588 1.00 32.40 C ATOM 588 O ASN A 38 9.777 -7.879 3.300 1.00 62.03 O ATOM 589 CB ASN A 38 11.058 -9.642 1.582 1.00 31.43 C ATOM 590 CG ASN A 38 11.681 -9.682 0.200 1.00 2.44 C ATOM 591 OD1 ASN A 38 11.970 -10.753 -0.332 1.00 73.34 O ATOM 592 ND2 ASN A 38 11.892 -8.509 -0.387 1.00 20.41 N ATOM 0 H ASN A 38 12.622 -9.934 4.162 1.00 74.03 H new ATOM 0 HA ASN A 38 12.387 -8.010 2.018 1.00 51.24 H new ATOM 0 HB2 ASN A 38 10.968 -10.658 1.966 1.00 31.43 H new ATOM 0 HB3 ASN A 38 10.048 -9.238 1.511 1.00 31.43 H new ATOM 0 HD21 ASN A 38 12.310 -8.472 -1.317 1.00 20.41 H new ATOM 0 HD22 ASN A 38 11.636 -7.646 0.092 1.00 20.41 H new ATOM 599 N LYS A 39 11.467 -7.907 4.784 1.00 0.12 N ATOM 600 CA LYS A 39 10.687 -7.290 5.850 1.00 10.23 C ATOM 601 C LYS A 39 11.492 -6.203 6.554 1.00 4.54 C ATOM 602 O LYS A 39 12.680 -6.021 6.283 1.00 61.14 O ATOM 603 CB LYS A 39 10.243 -8.347 6.863 1.00 22.54 C ATOM 604 CG LYS A 39 9.664 -9.597 6.224 1.00 70.33 C ATOM 605 CD LYS A 39 9.075 -10.535 7.264 1.00 5.05 C ATOM 606 CE LYS A 39 7.603 -10.807 7.000 1.00 74.40 C ATOM 607 NZ LYS A 39 7.410 -11.902 6.008 1.00 3.34 N ATOM 0 H LYS A 39 12.430 -8.127 5.040 1.00 0.12 H new ATOM 0 HA LYS A 39 9.805 -6.832 5.402 1.00 10.23 H new ATOM 0 HB2 LYS A 39 11.096 -8.627 7.481 1.00 22.54 H new ATOM 0 HB3 LYS A 39 9.498 -7.910 7.528 1.00 22.54 H new ATOM 0 HG2 LYS A 39 8.892 -9.316 5.508 1.00 70.33 H new ATOM 0 HG3 LYS A 39 10.443 -10.115 5.666 1.00 70.33 H new ATOM 0 HD2 LYS A 39 9.626 -11.475 7.261 1.00 5.05 H new ATOM 0 HD3 LYS A 39 9.193 -10.100 8.256 1.00 5.05 H new ATOM 0 HE2 LYS A 39 7.109 -11.073 7.935 1.00 74.40 H new ATOM 0 HE3 LYS A 39 7.126 -9.898 6.635 1.00 74.40 H new ATOM 0 HZ1 LYS A 39 6.393 -12.057 5.855 1.00 3.34 H new ATOM 0 HZ2 LYS A 39 7.859 -11.638 5.108 1.00 3.34 H new ATOM 0 HZ3 LYS A 39 7.843 -12.776 6.367 1.00 3.34 H new ATOM 621 N LEU A 40 10.840 -5.483 7.461 1.00 43.23 N ATOM 622 CA LEU A 40 11.497 -4.414 8.206 1.00 54.14 C ATOM 623 C LEU A 40 11.152 -4.493 9.689 1.00 30.24 C ATOM 624 O LEU A 40 10.156 -5.096 10.089 1.00 30.52 O ATOM 625 CB LEU A 40 11.086 -3.050 7.647 1.00 24.12 C ATOM 626 CG LEU A 40 9.658 -2.946 7.111 1.00 63.43 C ATOM 627 CD1 LEU A 40 9.119 -1.537 7.298 1.00 52.11 C ATOM 628 CD2 LEU A 40 9.609 -3.348 5.644 1.00 43.23 C ATOM 0 H LEU A 40 9.857 -5.620 7.698 1.00 43.23 H new ATOM 0 HA LEU A 40 12.575 -4.536 8.096 1.00 54.14 H new ATOM 0 HB2 LEU A 40 11.213 -2.305 8.432 1.00 24.12 H new ATOM 0 HB3 LEU A 40 11.774 -2.787 6.844 1.00 24.12 H new ATOM 0 HG LEU A 40 9.027 -3.632 7.676 1.00 63.43 H new ATOM 0 HD11 LEU A 40 8.102 -1.482 6.911 1.00 52.11 H new ATOM 0 HD12 LEU A 40 9.117 -1.286 8.359 1.00 52.11 H new ATOM 0 HD13 LEU A 40 9.751 -0.831 6.759 1.00 52.11 H new ATOM 0 HD21 LEU A 40 8.585 -3.268 5.279 1.00 43.23 H new ATOM 0 HD22 LEU A 40 10.254 -2.688 5.064 1.00 43.23 H new ATOM 0 HD23 LEU A 40 9.953 -4.377 5.537 1.00 43.23 H new ATOM 640 N PRO A 41 11.993 -3.868 10.527 1.00 70.13 N ATOM 641 CA PRO A 41 11.797 -3.851 11.979 1.00 33.13 C ATOM 642 C PRO A 41 10.599 -3.003 12.392 1.00 10.45 C ATOM 643 O PRO A 41 10.531 -1.814 12.079 1.00 5.55 O ATOM 644 CB PRO A 41 13.095 -3.235 12.506 1.00 64.14 C ATOM 645 CG PRO A 41 13.609 -2.411 11.376 1.00 53.32 C ATOM 646 CD PRO A 41 13.200 -3.129 10.120 1.00 61.33 C ATOM 0 HA PRO A 41 11.591 -4.846 12.374 1.00 33.13 H new ATOM 0 HB2 PRO A 41 12.913 -2.624 13.390 1.00 64.14 H new ATOM 0 HB3 PRO A 41 13.811 -4.005 12.792 1.00 64.14 H new ATOM 0 HG2 PRO A 41 13.190 -1.405 11.404 1.00 53.32 H new ATOM 0 HG3 PRO A 41 14.693 -2.307 11.431 1.00 53.32 H new ATOM 0 HD2 PRO A 41 12.990 -2.432 9.309 1.00 61.33 H new ATOM 0 HD3 PRO A 41 13.983 -3.801 9.768 1.00 61.33 H new ATOM 654 N ILE A 42 9.657 -3.620 13.097 1.00 71.42 N ATOM 655 CA ILE A 42 8.463 -2.920 13.554 1.00 72.52 C ATOM 656 C ILE A 42 8.316 -3.015 15.069 1.00 41.03 C ATOM 657 O ILE A 42 7.867 -4.032 15.597 1.00 30.15 O ATOM 658 CB ILE A 42 7.192 -3.483 12.890 1.00 11.12 C ATOM 659 CG1 ILE A 42 7.383 -3.584 11.375 1.00 22.25 C ATOM 660 CG2 ILE A 42 5.991 -2.609 13.221 1.00 71.44 C ATOM 661 CD1 ILE A 42 7.714 -2.262 10.719 1.00 62.44 C ATOM 0 H ILE A 42 9.698 -4.604 13.364 1.00 71.42 H new ATOM 0 HA ILE A 42 8.581 -1.875 13.268 1.00 72.52 H new ATOM 0 HB ILE A 42 7.008 -4.484 13.281 1.00 11.12 H new ATOM 0 HG12 ILE A 42 8.182 -4.295 11.164 1.00 22.25 H new ATOM 0 HG13 ILE A 42 6.473 -3.985 10.928 1.00 22.25 H new ATOM 0 HG21 ILE A 42 5.100 -3.019 12.745 1.00 71.44 H new ATOM 0 HG22 ILE A 42 5.846 -2.584 14.301 1.00 71.44 H new ATOM 0 HG23 ILE A 42 6.165 -1.597 12.854 1.00 71.44 H new ATOM 0 HD11 ILE A 42 7.836 -2.409 9.646 1.00 62.44 H new ATOM 0 HD12 ILE A 42 6.905 -1.554 10.899 1.00 62.44 H new ATOM 0 HD13 ILE A 42 8.640 -1.869 11.139 1.00 62.44 H new ATOM 673 N PHE A 43 8.696 -1.947 15.762 1.00 23.12 N ATOM 674 CA PHE A 43 8.606 -1.909 17.217 1.00 5.42 C ATOM 675 C PHE A 43 7.167 -1.679 17.667 1.00 34.43 C ATOM 676 O PHE A 43 6.639 -0.572 17.559 1.00 22.20 O ATOM 677 CB PHE A 43 9.509 -0.807 17.776 1.00 10.31 C ATOM 678 CG PHE A 43 9.673 -0.865 19.268 1.00 61.50 C ATOM 679 CD1 PHE A 43 10.105 -2.028 19.885 1.00 24.23 C ATOM 680 CD2 PHE A 43 9.396 0.242 20.053 1.00 74.01 C ATOM 681 CE1 PHE A 43 10.256 -2.085 21.258 1.00 65.01 C ATOM 682 CE2 PHE A 43 9.545 0.191 21.426 1.00 2.21 C ATOM 683 CZ PHE A 43 9.977 -0.974 22.029 1.00 2.31 C ATOM 0 H PHE A 43 9.069 -1.097 15.340 1.00 23.12 H new ATOM 0 HA PHE A 43 8.939 -2.873 17.602 1.00 5.42 H new ATOM 0 HB2 PHE A 43 10.490 -0.880 17.308 1.00 10.31 H new ATOM 0 HB3 PHE A 43 9.096 0.164 17.501 1.00 10.31 H new ATOM 0 HD1 PHE A 43 10.326 -2.900 19.287 1.00 24.23 H new ATOM 0 HD2 PHE A 43 9.060 1.156 19.586 1.00 74.01 H new ATOM 0 HE1 PHE A 43 10.592 -2.998 21.727 1.00 65.01 H new ATOM 0 HE2 PHE A 43 9.324 1.061 22.027 1.00 2.21 H new ATOM 0 HZ PHE A 43 10.096 -1.016 23.102 1.00 2.31 H new ATOM 693 N PHE A 44 6.536 -2.735 18.172 1.00 11.52 N ATOM 694 CA PHE A 44 5.156 -2.650 18.638 1.00 65.03 C ATOM 695 C PHE A 44 5.055 -1.772 19.881 1.00 11.42 C ATOM 696 O PHE A 44 5.501 -2.154 20.963 1.00 11.22 O ATOM 697 CB PHE A 44 4.612 -4.047 18.941 1.00 74.43 C ATOM 698 CG PHE A 44 4.018 -4.732 17.743 1.00 61.12 C ATOM 699 CD1 PHE A 44 3.051 -4.102 16.977 1.00 50.14 C ATOM 700 CD2 PHE A 44 4.427 -6.006 17.383 1.00 20.35 C ATOM 701 CE1 PHE A 44 2.503 -4.729 15.873 1.00 30.04 C ATOM 702 CE2 PHE A 44 3.883 -6.638 16.281 1.00 30.12 C ATOM 703 CZ PHE A 44 2.919 -5.999 15.526 1.00 31.30 C ATOM 0 H PHE A 44 6.958 -3.659 18.269 1.00 11.52 H new ATOM 0 HA PHE A 44 4.558 -2.198 17.846 1.00 65.03 H new ATOM 0 HB2 PHE A 44 5.418 -4.663 19.340 1.00 74.43 H new ATOM 0 HB3 PHE A 44 3.853 -3.972 19.720 1.00 74.43 H new ATOM 0 HD1 PHE A 44 2.721 -3.109 17.245 1.00 50.14 H new ATOM 0 HD2 PHE A 44 5.180 -6.511 17.970 1.00 20.35 H new ATOM 0 HE1 PHE A 44 1.751 -4.226 15.283 1.00 30.04 H new ATOM 0 HE2 PHE A 44 4.211 -7.631 16.010 1.00 30.12 H new ATOM 0 HZ PHE A 44 2.491 -6.492 14.666 1.00 31.30 H new ATOM 713 N PHE A 45 4.465 -0.592 19.718 1.00 3.23 N ATOM 714 CA PHE A 45 4.306 0.343 20.826 1.00 30.33 C ATOM 715 C PHE A 45 3.277 -0.172 21.828 1.00 32.13 C ATOM 716 O PHE A 45 2.248 -0.728 21.447 1.00 34.25 O ATOM 717 CB PHE A 45 3.883 1.718 20.305 1.00 63.32 C ATOM 718 CG PHE A 45 4.972 2.749 20.384 1.00 40.44 C ATOM 719 CD1 PHE A 45 6.059 2.696 19.526 1.00 72.21 C ATOM 720 CD2 PHE A 45 4.909 3.773 21.316 1.00 71.41 C ATOM 721 CE1 PHE A 45 7.062 3.644 19.595 1.00 23.25 C ATOM 722 CE2 PHE A 45 5.909 4.724 21.390 1.00 60.52 C ATOM 723 CZ PHE A 45 6.988 4.658 20.529 1.00 14.45 C ATOM 0 H PHE A 45 4.089 -0.261 18.829 1.00 3.23 H new ATOM 0 HA PHE A 45 5.267 0.434 21.332 1.00 30.33 H new ATOM 0 HB2 PHE A 45 3.559 1.621 19.269 1.00 63.32 H new ATOM 0 HB3 PHE A 45 3.022 2.065 20.877 1.00 63.32 H new ATOM 0 HD1 PHE A 45 6.123 1.904 18.794 1.00 72.21 H new ATOM 0 HD2 PHE A 45 4.069 3.828 21.992 1.00 71.41 H new ATOM 0 HE1 PHE A 45 7.903 3.592 18.919 1.00 23.25 H new ATOM 0 HE2 PHE A 45 5.847 5.518 22.120 1.00 60.52 H new ATOM 0 HZ PHE A 45 7.772 5.398 20.587 1.00 14.45 H new ATOM 733 N GLY A 46 3.564 0.017 23.113 1.00 53.42 N ATOM 734 CA GLY A 46 2.655 -0.434 24.150 1.00 12.33 C ATOM 735 C GLY A 46 2.991 -1.824 24.651 1.00 72.40 C ATOM 736 O GLY A 46 2.862 -2.113 25.841 1.00 2.44 O ATOM 0 H GLY A 46 4.410 0.474 23.454 1.00 53.42 H new ATOM 0 HA2 GLY A 46 2.684 0.267 24.985 1.00 12.33 H new ATOM 0 HA3 GLY A 46 1.636 -0.427 23.764 1.00 12.33 H new ATOM 740 N THR A 47 3.422 -2.692 23.740 1.00 13.21 N ATOM 741 CA THR A 47 3.774 -4.061 24.095 1.00 43.43 C ATOM 742 C THR A 47 5.284 -4.266 24.058 1.00 23.53 C ATOM 743 O THR A 47 5.784 -5.333 24.418 1.00 45.13 O ATOM 744 CB THR A 47 3.106 -5.076 23.148 1.00 22.05 C ATOM 745 OG1 THR A 47 3.592 -4.895 21.814 1.00 52.34 O ATOM 746 CG2 THR A 47 1.593 -4.920 23.169 1.00 61.23 C ATOM 0 H THR A 47 3.535 -2.470 22.751 1.00 13.21 H new ATOM 0 HA THR A 47 3.411 -4.229 25.109 1.00 43.43 H new ATOM 0 HB THR A 47 3.356 -6.080 23.491 1.00 22.05 H new ATOM 0 HG1 THR A 47 3.164 -5.545 21.219 1.00 52.34 H new ATOM 0 HG21 THR A 47 1.143 -5.647 22.493 1.00 61.23 H new ATOM 0 HG22 THR A 47 1.224 -5.088 24.181 1.00 61.23 H new ATOM 0 HG23 THR A 47 1.327 -3.913 22.848 1.00 61.23 H new ATOM 754 N HIS A 48 6.007 -3.239 23.623 1.00 74.13 N ATOM 755 CA HIS A 48 7.461 -3.308 23.541 1.00 43.52 C ATOM 756 C HIS A 48 7.905 -4.559 22.789 1.00 51.32 C ATOM 757 O HIS A 48 8.955 -5.130 23.081 1.00 0.42 O ATOM 758 CB HIS A 48 8.073 -3.297 24.942 1.00 42.30 C ATOM 759 CG HIS A 48 8.083 -1.942 25.581 1.00 62.03 C ATOM 760 ND1 HIS A 48 8.036 -0.769 24.858 1.00 53.32 N ATOM 761 CD2 HIS A 48 8.134 -1.578 26.883 1.00 0.23 C ATOM 762 CE1 HIS A 48 8.059 0.259 25.688 1.00 34.40 C ATOM 763 NE2 HIS A 48 8.118 -0.205 26.923 1.00 33.23 N ATOM 0 H HIS A 48 5.609 -2.349 23.322 1.00 74.13 H new ATOM 0 HA HIS A 48 7.811 -2.433 22.993 1.00 43.52 H new ATOM 0 HB2 HIS A 48 7.516 -3.985 25.578 1.00 42.30 H new ATOM 0 HB3 HIS A 48 9.095 -3.671 24.886 1.00 42.30 H new ATOM 0 HD2 HIS A 48 8.179 -2.243 27.733 1.00 0.23 H new ATOM 0 HE1 HIS A 48 8.034 1.301 25.405 1.00 34.40 H new ATOM 0 HE2 HIS A 48 8.147 0.364 27.769 1.00 33.23 H new ATOM 771 N GLU A 49 7.097 -4.979 21.820 1.00 1.12 N ATOM 772 CA GLU A 49 7.407 -6.163 21.028 1.00 32.53 C ATOM 773 C GLU A 49 8.031 -5.776 19.691 1.00 51.12 C ATOM 774 O GLU A 49 8.146 -4.594 19.365 1.00 54.23 O ATOM 775 CB GLU A 49 6.142 -6.992 20.792 1.00 11.54 C ATOM 776 CG GLU A 49 5.570 -7.604 22.060 1.00 11.51 C ATOM 777 CD GLU A 49 6.640 -8.193 22.958 1.00 64.12 C ATOM 778 OE1 GLU A 49 7.315 -7.417 23.666 1.00 63.11 O ATOM 779 OE2 GLU A 49 6.803 -9.431 22.952 1.00 73.51 O ATOM 0 H GLU A 49 6.224 -4.517 21.565 1.00 1.12 H new ATOM 0 HA GLU A 49 8.127 -6.762 21.585 1.00 32.53 H new ATOM 0 HB2 GLU A 49 5.384 -6.359 20.330 1.00 11.54 H new ATOM 0 HB3 GLU A 49 6.367 -7.789 20.083 1.00 11.54 H new ATOM 0 HG2 GLU A 49 5.019 -6.841 22.610 1.00 11.51 H new ATOM 0 HG3 GLU A 49 4.856 -8.383 21.793 1.00 11.51 H new ATOM 786 N THR A 50 8.434 -6.781 18.919 1.00 0.31 N ATOM 787 CA THR A 50 9.048 -6.547 17.618 1.00 1.43 C ATOM 788 C THR A 50 8.662 -7.636 16.624 1.00 2.21 C ATOM 789 O THR A 50 8.860 -8.823 16.882 1.00 43.34 O ATOM 790 CB THR A 50 10.584 -6.485 17.725 1.00 75.03 C ATOM 791 OG1 THR A 50 11.169 -6.576 16.421 1.00 30.31 O ATOM 792 CG2 THR A 50 11.111 -7.610 18.603 1.00 54.12 C ATOM 0 H THR A 50 8.346 -7.765 19.173 1.00 0.31 H new ATOM 0 HA THR A 50 8.677 -5.586 17.261 1.00 1.43 H new ATOM 0 HB THR A 50 10.857 -5.533 18.180 1.00 75.03 H new ATOM 0 HG1 THR A 50 12.145 -6.534 16.497 1.00 30.31 H new ATOM 0 HG21 THR A 50 12.197 -7.546 18.664 1.00 54.12 H new ATOM 0 HG22 THR A 50 10.686 -7.521 19.603 1.00 54.12 H new ATOM 0 HG23 THR A 50 10.828 -8.571 18.173 1.00 54.12 H new ATOM 800 N ALA A 51 8.111 -7.224 15.487 1.00 32.31 N ATOM 801 CA ALA A 51 7.700 -8.166 14.453 1.00 52.31 C ATOM 802 C ALA A 51 8.128 -7.684 13.071 1.00 72.23 C ATOM 803 O ALA A 51 7.892 -6.533 12.703 1.00 70.12 O ATOM 804 CB ALA A 51 6.193 -8.375 14.498 1.00 4.20 C ATOM 0 H ALA A 51 7.939 -6.245 15.259 1.00 32.31 H new ATOM 0 HA ALA A 51 8.194 -9.118 14.646 1.00 52.31 H new ATOM 0 HB1 ALA A 51 5.900 -9.081 13.721 1.00 4.20 H new ATOM 0 HB2 ALA A 51 5.910 -8.771 15.473 1.00 4.20 H new ATOM 0 HB3 ALA A 51 5.689 -7.423 14.333 1.00 4.20 H new ATOM 810 N PHE A 52 8.759 -8.572 12.309 1.00 14.21 N ATOM 811 CA PHE A 52 9.221 -8.236 10.967 1.00 23.45 C ATOM 812 C PHE A 52 8.095 -8.390 9.949 1.00 21.45 C ATOM 813 O PHE A 52 7.530 -9.473 9.790 1.00 22.43 O ATOM 814 CB PHE A 52 10.403 -9.125 10.576 1.00 63.45 C ATOM 815 CG PHE A 52 11.678 -8.777 11.289 1.00 0.14 C ATOM 816 CD1 PHE A 52 12.180 -7.486 11.247 1.00 25.34 C ATOM 817 CD2 PHE A 52 12.374 -9.740 12.003 1.00 55.41 C ATOM 818 CE1 PHE A 52 13.354 -7.163 11.903 1.00 74.32 C ATOM 819 CE2 PHE A 52 13.547 -9.422 12.661 1.00 61.43 C ATOM 820 CZ PHE A 52 14.037 -8.132 12.611 1.00 21.13 C ATOM 0 H PHE A 52 8.962 -9.529 12.598 1.00 14.21 H new ATOM 0 HA PHE A 52 9.543 -7.195 10.970 1.00 23.45 H new ATOM 0 HB2 PHE A 52 10.151 -10.164 10.787 1.00 63.45 H new ATOM 0 HB3 PHE A 52 10.565 -9.048 9.501 1.00 63.45 H new ATOM 0 HD1 PHE A 52 11.649 -6.724 10.696 1.00 25.34 H new ATOM 0 HD2 PHE A 52 11.995 -10.750 12.046 1.00 55.41 H new ATOM 0 HE1 PHE A 52 13.736 -6.154 11.862 1.00 74.32 H new ATOM 0 HE2 PHE A 52 14.080 -10.182 13.214 1.00 61.43 H new ATOM 0 HZ PHE A 52 14.953 -7.881 13.125 1.00 21.13 H new ATOM 830 N LEU A 53 7.773 -7.300 9.263 1.00 42.40 N ATOM 831 CA LEU A 53 6.714 -7.312 8.260 1.00 40.41 C ATOM 832 C LEU A 53 7.047 -6.372 7.105 1.00 32.22 C ATOM 833 O LEU A 53 7.401 -5.213 7.317 1.00 73.12 O ATOM 834 CB LEU A 53 5.381 -6.908 8.893 1.00 70.35 C ATOM 835 CG LEU A 53 5.047 -7.566 10.232 1.00 24.10 C ATOM 836 CD1 LEU A 53 3.916 -6.822 10.925 1.00 63.31 C ATOM 837 CD2 LEU A 53 4.682 -9.029 10.031 1.00 34.51 C ATOM 0 H LEU A 53 8.230 -6.396 9.383 1.00 42.40 H new ATOM 0 HA LEU A 53 6.631 -8.325 7.867 1.00 40.41 H new ATOM 0 HB2 LEU A 53 5.381 -5.827 9.032 1.00 70.35 H new ATOM 0 HB3 LEU A 53 4.582 -7.139 8.188 1.00 70.35 H new ATOM 0 HG LEU A 53 5.930 -7.517 10.869 1.00 24.10 H new ATOM 0 HD11 LEU A 53 3.692 -7.305 11.876 1.00 63.31 H new ATOM 0 HD12 LEU A 53 4.216 -5.789 11.104 1.00 63.31 H new ATOM 0 HD13 LEU A 53 3.029 -6.838 10.292 1.00 63.31 H new ATOM 0 HD21 LEU A 53 4.447 -9.481 10.995 1.00 34.51 H new ATOM 0 HD22 LEU A 53 3.814 -9.101 9.376 1.00 34.51 H new ATOM 0 HD23 LEU A 53 5.523 -9.555 9.579 1.00 34.51 H new ATOM 849 N GLY A 54 6.929 -6.881 5.882 1.00 14.43 N ATOM 850 CA GLY A 54 7.218 -6.073 4.712 1.00 44.11 C ATOM 851 C GLY A 54 6.375 -4.815 4.652 1.00 33.11 C ATOM 852 O GLY A 54 5.521 -4.573 5.506 1.00 72.55 O ATOM 0 H GLY A 54 6.639 -7.838 5.681 1.00 14.43 H new ATOM 0 HA2 GLY A 54 8.273 -5.799 4.715 1.00 44.11 H new ATOM 0 HA3 GLY A 54 7.045 -6.666 3.814 1.00 44.11 H new ATOM 856 N PRO A 55 6.612 -3.987 3.624 1.00 3.22 N ATOM 857 CA PRO A 55 5.879 -2.732 3.433 1.00 74.35 C ATOM 858 C PRO A 55 4.425 -2.966 3.036 1.00 51.24 C ATOM 859 O PRO A 55 3.533 -2.219 3.438 1.00 52.54 O ATOM 860 CB PRO A 55 6.640 -2.046 2.295 1.00 32.43 C ATOM 861 CG PRO A 55 7.286 -3.160 1.546 1.00 30.12 C ATOM 862 CD PRO A 55 7.615 -4.211 2.570 1.00 63.43 C ATOM 0 HA PRO A 55 5.833 -2.143 4.349 1.00 74.35 H new ATOM 0 HB2 PRO A 55 5.966 -1.477 1.655 1.00 32.43 H new ATOM 0 HB3 PRO A 55 7.381 -1.346 2.680 1.00 32.43 H new ATOM 0 HG2 PRO A 55 6.617 -3.556 0.782 1.00 30.12 H new ATOM 0 HG3 PRO A 55 8.186 -2.817 1.036 1.00 30.12 H new ATOM 0 HD2 PRO A 55 7.542 -5.215 2.153 1.00 63.43 H new ATOM 0 HD3 PRO A 55 8.630 -4.097 2.951 1.00 63.43 H new ATOM 870 N LYS A 56 4.193 -4.008 2.245 1.00 55.24 N ATOM 871 CA LYS A 56 2.847 -4.342 1.794 1.00 14.11 C ATOM 872 C LYS A 56 1.995 -4.850 2.953 1.00 24.42 C ATOM 873 O LYS A 56 0.777 -4.977 2.832 1.00 12.20 O ATOM 874 CB LYS A 56 2.904 -5.398 0.688 1.00 3.00 C ATOM 875 CG LYS A 56 3.404 -4.860 -0.641 1.00 41.34 C ATOM 876 CD LYS A 56 3.441 -5.945 -1.704 1.00 24.30 C ATOM 877 CE LYS A 56 4.630 -6.874 -1.510 1.00 71.41 C ATOM 878 NZ LYS A 56 4.564 -8.056 -2.414 1.00 54.11 N ATOM 0 H LYS A 56 4.920 -4.636 1.903 1.00 55.24 H new ATOM 0 HA LYS A 56 2.388 -3.436 1.399 1.00 14.11 H new ATOM 0 HB2 LYS A 56 3.554 -6.213 1.008 1.00 3.00 H new ATOM 0 HB3 LYS A 56 1.909 -5.820 0.548 1.00 3.00 H new ATOM 0 HG2 LYS A 56 2.757 -4.047 -0.972 1.00 41.34 H new ATOM 0 HG3 LYS A 56 4.402 -4.441 -0.513 1.00 41.34 H new ATOM 0 HD2 LYS A 56 2.517 -6.522 -1.669 1.00 24.30 H new ATOM 0 HD3 LYS A 56 3.493 -5.487 -2.692 1.00 24.30 H new ATOM 0 HE2 LYS A 56 5.553 -6.326 -1.696 1.00 71.41 H new ATOM 0 HE3 LYS A 56 4.663 -7.211 -0.474 1.00 71.41 H new ATOM 0 HZ1 LYS A 56 5.392 -8.664 -2.251 1.00 54.11 H new ATOM 0 HZ2 LYS A 56 3.695 -8.594 -2.219 1.00 54.11 H new ATOM 0 HZ3 LYS A 56 4.559 -7.736 -3.404 1.00 54.11 H new ATOM 892 N ASP A 57 2.645 -5.139 4.076 1.00 75.03 N ATOM 893 CA ASP A 57 1.946 -5.631 5.258 1.00 64.34 C ATOM 894 C ASP A 57 1.622 -4.487 6.213 1.00 71.01 C ATOM 895 O ASP A 57 0.606 -4.515 6.908 1.00 73.12 O ATOM 896 CB ASP A 57 2.792 -6.685 5.974 1.00 62.54 C ATOM 897 CG ASP A 57 2.516 -8.089 5.470 1.00 1.33 C ATOM 898 OD1 ASP A 57 2.794 -8.358 4.283 1.00 20.12 O ATOM 899 OD2 ASP A 57 2.021 -8.917 6.263 1.00 23.23 O ATOM 0 H ASP A 57 3.654 -5.041 4.192 1.00 75.03 H new ATOM 0 HA ASP A 57 1.010 -6.086 4.934 1.00 64.34 H new ATOM 0 HB2 ASP A 57 3.848 -6.454 5.836 1.00 62.54 H new ATOM 0 HB3 ASP A 57 2.593 -6.641 7.045 1.00 62.54 H new ATOM 904 N ILE A 58 2.492 -3.483 6.243 1.00 72.14 N ATOM 905 CA ILE A 58 2.297 -2.330 7.113 1.00 43.14 C ATOM 906 C ILE A 58 1.541 -1.219 6.392 1.00 71.10 C ATOM 907 O ILE A 58 1.750 -0.981 5.202 1.00 24.23 O ATOM 908 CB ILE A 58 3.641 -1.775 7.620 1.00 1.34 C ATOM 909 CG1 ILE A 58 4.571 -1.475 6.443 1.00 5.03 C ATOM 910 CG2 ILE A 58 4.292 -2.760 8.580 1.00 43.41 C ATOM 911 CD1 ILE A 58 5.828 -0.733 6.840 1.00 24.03 C ATOM 0 H ILE A 58 3.338 -3.445 5.675 1.00 72.14 H new ATOM 0 HA ILE A 58 1.709 -2.673 7.965 1.00 43.14 H new ATOM 0 HB ILE A 58 3.454 -0.845 8.156 1.00 1.34 H new ATOM 0 HG12 ILE A 58 4.849 -2.413 5.962 1.00 5.03 H new ATOM 0 HG13 ILE A 58 4.029 -0.886 5.703 1.00 5.03 H new ATOM 0 HG21 ILE A 58 5.241 -2.354 8.930 1.00 43.41 H new ATOM 0 HG22 ILE A 58 3.633 -2.928 9.432 1.00 43.41 H new ATOM 0 HG23 ILE A 58 4.469 -3.705 8.067 1.00 43.41 H new ATOM 0 HD11 ILE A 58 6.440 -0.554 5.956 1.00 24.03 H new ATOM 0 HD12 ILE A 58 5.559 0.221 7.294 1.00 24.03 H new ATOM 0 HD13 ILE A 58 6.392 -1.330 7.557 1.00 24.03 H new ATOM 923 N PHE A 59 0.661 -0.540 7.121 1.00 24.21 N ATOM 924 CA PHE A 59 -0.126 0.547 6.552 1.00 13.10 C ATOM 925 C PHE A 59 0.088 1.840 7.333 1.00 52.40 C ATOM 926 O PHE A 59 0.564 1.838 8.468 1.00 4.21 O ATOM 927 CB PHE A 59 -1.612 0.181 6.547 1.00 21.25 C ATOM 928 CG PHE A 59 -2.081 -0.404 5.246 1.00 31.21 C ATOM 929 CD1 PHE A 59 -1.664 -1.664 4.847 1.00 4.40 C ATOM 930 CD2 PHE A 59 -2.940 0.305 4.422 1.00 11.12 C ATOM 931 CE1 PHE A 59 -2.093 -2.204 3.650 1.00 52.24 C ATOM 932 CE2 PHE A 59 -3.373 -0.230 3.224 1.00 75.23 C ATOM 933 CZ PHE A 59 -2.950 -1.487 2.838 1.00 52.24 C ATOM 0 H PHE A 59 0.475 -0.724 8.107 1.00 24.21 H new ATOM 0 HA PHE A 59 0.206 0.704 5.526 1.00 13.10 H new ATOM 0 HB2 PHE A 59 -1.805 -0.533 7.348 1.00 21.25 H new ATOM 0 HB3 PHE A 59 -2.198 1.073 6.767 1.00 21.25 H new ATOM 0 HD1 PHE A 59 -0.996 -2.230 5.479 1.00 4.40 H new ATOM 0 HD2 PHE A 59 -3.275 1.288 4.720 1.00 11.12 H new ATOM 0 HE1 PHE A 59 -1.759 -3.186 3.349 1.00 52.24 H new ATOM 0 HE2 PHE A 59 -4.041 0.334 2.590 1.00 75.23 H new ATOM 0 HZ PHE A 59 -3.289 -1.908 1.903 1.00 52.24 H new ATOM 943 N PRO A 60 -0.272 2.973 6.711 1.00 70.00 N ATOM 944 CA PRO A 60 -0.129 4.295 7.328 1.00 21.12 C ATOM 945 C PRO A 60 -1.103 4.504 8.483 1.00 43.01 C ATOM 946 O PRO A 60 -2.301 4.256 8.349 1.00 14.33 O ATOM 947 CB PRO A 60 -0.445 5.258 6.181 1.00 2.02 C ATOM 948 CG PRO A 60 -1.315 4.476 5.259 1.00 65.15 C ATOM 949 CD PRO A 60 -0.847 3.050 5.357 1.00 2.35 C ATOM 0 HA PRO A 60 0.861 4.437 7.762 1.00 21.12 H new ATOM 0 HB2 PRO A 60 -0.954 6.151 6.543 1.00 2.02 H new ATOM 0 HB3 PRO A 60 0.465 5.590 5.681 1.00 2.02 H new ATOM 0 HG2 PRO A 60 -2.363 4.563 5.544 1.00 65.15 H new ATOM 0 HG3 PRO A 60 -1.231 4.845 4.237 1.00 65.15 H new ATOM 0 HD2 PRO A 60 -1.670 2.347 5.229 1.00 2.35 H new ATOM 0 HD3 PRO A 60 -0.107 2.816 4.592 1.00 2.35 H new ATOM 957 N TYR A 61 -0.581 4.961 9.615 1.00 4.34 N ATOM 958 CA TYR A 61 -1.404 5.202 10.794 1.00 31.13 C ATOM 959 C TYR A 61 -2.401 6.329 10.542 1.00 70.22 C ATOM 960 O TYR A 61 -3.354 6.511 11.299 1.00 1.24 O ATOM 961 CB TYR A 61 -0.523 5.546 11.996 1.00 22.54 C ATOM 962 CG TYR A 61 -0.382 7.031 12.239 1.00 15.33 C ATOM 963 CD1 TYR A 61 0.396 7.821 11.403 1.00 45.24 C ATOM 964 CD2 TYR A 61 -1.028 7.645 13.306 1.00 43.03 C ATOM 965 CE1 TYR A 61 0.528 9.179 11.621 1.00 63.01 C ATOM 966 CE2 TYR A 61 -0.903 9.002 13.531 1.00 42.22 C ATOM 967 CZ TYR A 61 -0.124 9.765 12.686 1.00 64.11 C ATOM 968 OH TYR A 61 0.004 11.117 12.908 1.00 65.15 O ATOM 0 H TYR A 61 0.409 5.172 9.741 1.00 4.34 H new ATOM 0 HA TYR A 61 -1.961 4.290 11.009 1.00 31.13 H new ATOM 0 HB2 TYR A 61 -0.941 5.079 12.888 1.00 22.54 H new ATOM 0 HB3 TYR A 61 0.467 5.116 11.845 1.00 22.54 H new ATOM 0 HD1 TYR A 61 0.907 7.366 10.567 1.00 45.24 H new ATOM 0 HD2 TYR A 61 -1.638 7.051 13.970 1.00 43.03 H new ATOM 0 HE1 TYR A 61 1.138 9.778 10.961 1.00 63.01 H new ATOM 0 HE2 TYR A 61 -1.412 9.463 14.364 1.00 42.22 H new ATOM 0 HH TYR A 61 -0.519 11.370 13.697 1.00 65.15 H new ATOM 978 N SER A 62 -2.174 7.082 9.470 1.00 22.04 N ATOM 979 CA SER A 62 -3.049 8.194 9.118 1.00 72.41 C ATOM 980 C SER A 62 -4.425 7.688 8.696 1.00 55.45 C ATOM 981 O SER A 62 -5.399 8.442 8.687 1.00 65.40 O ATOM 982 CB SER A 62 -2.429 9.021 7.990 1.00 11.14 C ATOM 983 OG SER A 62 -2.950 10.339 7.979 1.00 21.10 O ATOM 0 H SER A 62 -1.392 6.942 8.831 1.00 22.04 H new ATOM 0 HA SER A 62 -3.167 8.825 9.999 1.00 72.41 H new ATOM 0 HB2 SER A 62 -1.346 9.055 8.113 1.00 11.14 H new ATOM 0 HB3 SER A 62 -2.626 8.541 7.032 1.00 11.14 H new ATOM 0 HG SER A 62 -2.537 10.848 7.250 1.00 21.10 H new ATOM 989 N GLU A 63 -4.497 6.408 8.346 1.00 72.13 N ATOM 990 CA GLU A 63 -5.754 5.802 7.921 1.00 22.13 C ATOM 991 C GLU A 63 -6.454 5.123 9.095 1.00 71.12 C ATOM 992 O GLU A 63 -7.680 5.140 9.193 1.00 32.44 O ATOM 993 CB GLU A 63 -5.504 4.786 6.805 1.00 72.21 C ATOM 994 CG GLU A 63 -5.279 5.421 5.443 1.00 60.20 C ATOM 995 CD GLU A 63 -6.572 5.854 4.780 1.00 12.23 C ATOM 996 OE1 GLU A 63 -7.288 4.979 4.250 1.00 53.23 O ATOM 997 OE2 GLU A 63 -6.868 7.067 4.792 1.00 11.20 O ATOM 0 H GLU A 63 -3.701 5.771 8.348 1.00 72.13 H new ATOM 0 HA GLU A 63 -6.401 6.594 7.543 1.00 22.13 H new ATOM 0 HB2 GLU A 63 -4.634 4.182 7.063 1.00 72.21 H new ATOM 0 HB3 GLU A 63 -6.356 4.109 6.744 1.00 72.21 H new ATOM 0 HG2 GLU A 63 -4.624 6.286 5.553 1.00 60.20 H new ATOM 0 HG3 GLU A 63 -4.763 4.711 4.796 1.00 60.20 H new ATOM 1004 N ASN A 64 -5.665 4.526 9.982 1.00 61.51 N ATOM 1005 CA ASN A 64 -6.208 3.839 11.148 1.00 14.44 C ATOM 1006 C ASN A 64 -6.564 4.835 12.248 1.00 21.05 C ATOM 1007 O ASN A 64 -7.606 4.718 12.894 1.00 3.41 O ATOM 1008 CB ASN A 64 -5.203 2.815 11.678 1.00 61.12 C ATOM 1009 CG ASN A 64 -4.861 1.755 10.648 1.00 31.04 C ATOM 1010 OD1 ASN A 64 -3.805 1.804 10.018 1.00 24.43 O ATOM 1011 ND2 ASN A 64 -5.757 0.790 10.473 1.00 4.21 N ATOM 0 H ASN A 64 -4.647 4.504 9.916 1.00 61.51 H new ATOM 0 HA ASN A 64 -7.117 3.320 10.842 1.00 14.44 H new ATOM 0 HB2 ASN A 64 -4.291 3.329 11.983 1.00 61.12 H new ATOM 0 HB3 ASN A 64 -5.612 2.335 12.567 1.00 61.12 H new ATOM 0 HD21 ASN A 64 -5.583 0.049 9.794 1.00 4.21 H new ATOM 0 HD22 ASN A 64 -6.619 0.790 11.018 1.00 4.21 H new ATOM 1018 N LYS A 65 -5.691 5.815 12.457 1.00 70.15 N ATOM 1019 CA LYS A 65 -5.912 6.833 13.477 1.00 41.14 C ATOM 1020 C LYS A 65 -7.250 7.534 13.265 1.00 42.44 C ATOM 1021 O LYS A 65 -7.854 8.037 14.212 1.00 63.23 O ATOM 1022 CB LYS A 65 -4.777 7.860 13.456 1.00 70.41 C ATOM 1023 CG LYS A 65 -4.864 8.839 12.298 1.00 0.24 C ATOM 1024 CD LYS A 65 -3.737 9.858 12.344 1.00 34.21 C ATOM 1025 CE LYS A 65 -4.117 11.141 11.621 1.00 3.34 C ATOM 1026 NZ LYS A 65 -5.051 11.976 12.427 1.00 61.14 N ATOM 0 H LYS A 65 -4.823 5.926 11.933 1.00 70.15 H new ATOM 0 HA LYS A 65 -5.930 6.340 14.449 1.00 41.14 H new ATOM 0 HB2 LYS A 65 -4.785 8.417 14.393 1.00 70.41 H new ATOM 0 HB3 LYS A 65 -3.823 7.334 13.406 1.00 70.41 H new ATOM 0 HG2 LYS A 65 -4.824 8.293 11.355 1.00 0.24 H new ATOM 0 HG3 LYS A 65 -5.824 9.355 12.328 1.00 0.24 H new ATOM 0 HD2 LYS A 65 -3.490 10.083 13.382 1.00 34.21 H new ATOM 0 HD3 LYS A 65 -2.842 9.434 11.889 1.00 34.21 H new ATOM 0 HE2 LYS A 65 -3.216 11.714 11.400 1.00 3.34 H new ATOM 0 HE3 LYS A 65 -4.581 10.896 10.666 1.00 3.34 H new ATOM 0 HZ1 LYS A 65 -5.140 12.916 11.991 1.00 61.14 H new ATOM 0 HZ2 LYS A 65 -5.985 11.520 12.459 1.00 61.14 H new ATOM 0 HZ3 LYS A 65 -4.681 12.076 13.394 1.00 61.14 H new ATOM 1040 N GLU A 66 -7.707 7.563 12.017 1.00 61.24 N ATOM 1041 CA GLU A 66 -8.974 8.202 11.682 1.00 10.23 C ATOM 1042 C GLU A 66 -10.139 7.237 11.881 1.00 54.22 C ATOM 1043 O GLU A 66 -11.293 7.653 11.990 1.00 72.22 O ATOM 1044 CB GLU A 66 -8.952 8.702 10.236 1.00 15.54 C ATOM 1045 CG GLU A 66 -10.064 9.688 9.917 1.00 43.22 C ATOM 1046 CD GLU A 66 -10.089 10.084 8.453 1.00 13.23 C ATOM 1047 OE1 GLU A 66 -9.042 9.954 7.786 1.00 63.12 O ATOM 1048 OE2 GLU A 66 -11.156 10.524 7.976 1.00 43.24 O ATOM 0 H GLU A 66 -7.219 7.152 11.222 1.00 61.24 H new ATOM 0 HA GLU A 66 -9.111 9.052 12.350 1.00 10.23 H new ATOM 0 HB2 GLU A 66 -7.990 9.175 10.038 1.00 15.54 H new ATOM 0 HB3 GLU A 66 -9.031 7.848 9.564 1.00 15.54 H new ATOM 0 HG2 GLU A 66 -11.024 9.248 10.187 1.00 43.22 H new ATOM 0 HG3 GLU A 66 -9.940 10.581 10.529 1.00 43.22 H new ATOM 1055 N LYS A 67 -9.829 5.946 11.926 1.00 34.03 N ATOM 1056 CA LYS A 67 -10.849 4.920 12.112 1.00 4.02 C ATOM 1057 C LYS A 67 -11.339 4.895 13.556 1.00 2.44 C ATOM 1058 O LYS A 67 -12.518 5.127 13.826 1.00 63.30 O ATOM 1059 CB LYS A 67 -10.295 3.546 11.727 1.00 50.31 C ATOM 1060 CG LYS A 67 -10.066 3.380 10.235 1.00 62.33 C ATOM 1061 CD LYS A 67 -11.321 2.896 9.528 1.00 11.02 C ATOM 1062 CE LYS A 67 -11.478 1.387 9.641 1.00 11.43 C ATOM 1063 NZ LYS A 67 -12.874 0.952 9.358 1.00 1.34 N ATOM 0 H LYS A 67 -8.879 5.585 11.836 1.00 34.03 H new ATOM 0 HA LYS A 67 -11.692 5.160 11.465 1.00 4.02 H new ATOM 0 HB2 LYS A 67 -9.353 3.383 12.251 1.00 50.31 H new ATOM 0 HB3 LYS A 67 -10.987 2.776 12.068 1.00 50.31 H new ATOM 0 HG2 LYS A 67 -9.750 4.331 9.807 1.00 62.33 H new ATOM 0 HG3 LYS A 67 -9.256 2.670 10.067 1.00 62.33 H new ATOM 0 HD2 LYS A 67 -12.194 3.387 9.958 1.00 11.02 H new ATOM 0 HD3 LYS A 67 -11.280 3.181 8.477 1.00 11.02 H new ATOM 0 HE2 LYS A 67 -10.797 0.898 8.945 1.00 11.43 H new ATOM 0 HE3 LYS A 67 -11.194 1.066 10.643 1.00 11.43 H new ATOM 0 HZ1 LYS A 67 -12.940 -0.082 9.445 1.00 1.34 H new ATOM 0 HZ2 LYS A 67 -13.521 1.399 10.038 1.00 1.34 H new ATOM 0 HZ3 LYS A 67 -13.137 1.235 8.393 1.00 1.34 H new ATOM 1077 N TYR A 68 -10.427 4.615 14.481 1.00 51.31 N ATOM 1078 CA TYR A 68 -10.767 4.560 15.898 1.00 73.23 C ATOM 1079 C TYR A 68 -9.771 5.362 16.729 1.00 1.10 C ATOM 1080 O TYR A 68 -10.088 5.824 17.824 1.00 34.33 O ATOM 1081 CB TYR A 68 -10.799 3.108 16.380 1.00 43.53 C ATOM 1082 CG TYR A 68 -10.943 2.102 15.261 1.00 75.22 C ATOM 1083 CD1 TYR A 68 -12.197 1.736 14.786 1.00 10.14 C ATOM 1084 CD2 TYR A 68 -9.826 1.517 14.677 1.00 11.14 C ATOM 1085 CE1 TYR A 68 -12.334 0.816 13.765 1.00 43.20 C ATOM 1086 CE2 TYR A 68 -9.953 0.597 13.654 1.00 12.44 C ATOM 1087 CZ TYR A 68 -11.209 0.250 13.202 1.00 31.11 C ATOM 1088 OH TYR A 68 -11.341 -0.666 12.183 1.00 0.34 O ATOM 0 H TYR A 68 -9.447 4.423 14.275 1.00 51.31 H new ATOM 0 HA TYR A 68 -11.756 5.000 16.026 1.00 73.23 H new ATOM 0 HB2 TYR A 68 -9.883 2.897 16.932 1.00 43.53 H new ATOM 0 HB3 TYR A 68 -11.627 2.984 17.078 1.00 43.53 H new ATOM 0 HD1 TYR A 68 -13.080 2.179 15.223 1.00 10.14 H new ATOM 0 HD2 TYR A 68 -8.841 1.786 15.029 1.00 11.14 H new ATOM 0 HE1 TYR A 68 -13.316 0.541 13.409 1.00 43.20 H new ATOM 0 HE2 TYR A 68 -9.074 0.152 13.211 1.00 12.44 H new ATOM 0 HH TYR A 68 -10.453 -0.968 11.897 1.00 0.34 H new ATOM 1098 N GLY A 69 -8.563 5.524 16.198 1.00 4.54 N ATOM 1099 CA GLY A 69 -7.537 6.271 16.903 1.00 12.42 C ATOM 1100 C GLY A 69 -6.949 5.495 18.065 1.00 73.13 C ATOM 1101 O GLY A 69 -5.898 5.855 18.594 1.00 44.22 O ATOM 0 H GLY A 69 -8.276 5.152 15.293 1.00 4.54 H new ATOM 0 HA2 GLY A 69 -6.741 6.535 16.207 1.00 12.42 H new ATOM 0 HA3 GLY A 69 -7.961 7.205 17.271 1.00 12.42 H new ATOM 1105 N LYS A 70 -7.630 4.426 18.465 1.00 40.14 N ATOM 1106 CA LYS A 70 -7.170 3.596 19.571 1.00 33.35 C ATOM 1107 C LYS A 70 -7.611 2.147 19.385 1.00 40.43 C ATOM 1108 O LYS A 70 -8.577 1.853 18.681 1.00 52.34 O ATOM 1109 CB LYS A 70 -7.707 4.136 20.899 1.00 51.22 C ATOM 1110 CG LYS A 70 -9.208 4.370 20.898 1.00 42.22 C ATOM 1111 CD LYS A 70 -9.971 3.095 21.215 1.00 51.14 C ATOM 1112 CE LYS A 70 -11.369 3.396 21.733 1.00 2.54 C ATOM 1113 NZ LYS A 70 -12.030 2.181 22.284 1.00 0.24 N ATOM 0 H LYS A 70 -8.503 4.115 18.039 1.00 40.14 H new ATOM 0 HA LYS A 70 -6.081 3.627 19.586 1.00 33.35 H new ATOM 0 HB2 LYS A 70 -7.458 3.434 21.695 1.00 51.22 H new ATOM 0 HB3 LYS A 70 -7.202 5.073 21.131 1.00 51.22 H new ATOM 0 HG2 LYS A 70 -9.458 5.137 21.631 1.00 42.22 H new ATOM 0 HG3 LYS A 70 -9.518 4.748 19.924 1.00 42.22 H new ATOM 0 HD2 LYS A 70 -10.039 2.478 20.319 1.00 51.14 H new ATOM 0 HD3 LYS A 70 -9.423 2.517 21.959 1.00 51.14 H new ATOM 0 HE2 LYS A 70 -11.312 4.161 22.507 1.00 2.54 H new ATOM 0 HE3 LYS A 70 -11.976 3.804 20.925 1.00 2.54 H new ATOM 0 HZ1 LYS A 70 -12.980 2.428 22.627 1.00 0.24 H new ATOM 0 HZ2 LYS A 70 -12.107 1.460 21.539 1.00 0.24 H new ATOM 0 HZ3 LYS A 70 -11.465 1.805 23.072 1.00 0.24 H new ATOM 1127 N PRO A 71 -6.888 1.220 20.031 1.00 54.15 N ATOM 1128 CA PRO A 71 -7.188 -0.213 19.952 1.00 10.24 C ATOM 1129 C PRO A 71 -8.481 -0.575 20.676 1.00 64.03 C ATOM 1130 O PRO A 71 -8.753 -0.076 21.767 1.00 60.23 O ATOM 1131 CB PRO A 71 -5.988 -0.864 20.644 1.00 62.33 C ATOM 1132 CG PRO A 71 -5.469 0.183 21.568 1.00 64.53 C ATOM 1133 CD PRO A 71 -5.724 1.499 20.887 1.00 23.02 C ATOM 0 HA PRO A 71 -7.336 -0.543 18.924 1.00 10.24 H new ATOM 0 HB2 PRO A 71 -6.284 -1.761 21.188 1.00 62.33 H new ATOM 0 HB3 PRO A 71 -5.230 -1.165 19.921 1.00 62.33 H new ATOM 0 HG2 PRO A 71 -5.975 0.138 22.532 1.00 64.53 H new ATOM 0 HG3 PRO A 71 -4.405 0.042 21.759 1.00 64.53 H new ATOM 0 HD2 PRO A 71 -5.935 2.290 21.607 1.00 23.02 H new ATOM 0 HD3 PRO A 71 -4.863 1.822 20.302 1.00 23.02 H new ATOM 1141 N ASN A 72 -9.273 -1.447 20.060 1.00 13.44 N ATOM 1142 CA ASN A 72 -10.538 -1.876 20.647 1.00 50.45 C ATOM 1143 C ASN A 72 -10.377 -3.209 21.371 1.00 55.31 C ATOM 1144 O ASN A 72 -10.676 -3.322 22.560 1.00 75.22 O ATOM 1145 CB ASN A 72 -11.611 -1.997 19.563 1.00 70.34 C ATOM 1146 CG ASN A 72 -13.007 -2.116 20.142 1.00 14.42 C ATOM 1147 OD1 ASN A 72 -13.377 -1.378 21.056 1.00 40.54 O ATOM 1148 ND2 ASN A 72 -13.791 -3.048 19.612 1.00 3.13 N ATOM 0 H ASN A 72 -9.062 -1.870 19.156 1.00 13.44 H new ATOM 0 HA ASN A 72 -10.848 -1.124 21.373 1.00 50.45 H new ATOM 0 HB2 ASN A 72 -11.564 -1.125 18.911 1.00 70.34 H new ATOM 0 HB3 ASN A 72 -11.402 -2.870 18.944 1.00 70.34 H new ATOM 0 HD21 ASN A 72 -14.741 -3.174 19.961 1.00 3.13 H new ATOM 0 HD22 ASN A 72 -13.443 -3.637 18.856 1.00 3.13 H new ATOM 1155 N LYS A 73 -9.903 -4.216 20.646 1.00 23.12 N ATOM 1156 CA LYS A 73 -9.700 -5.542 21.218 1.00 3.23 C ATOM 1157 C LYS A 73 -8.229 -5.943 21.154 1.00 55.03 C ATOM 1158 O LYS A 73 -7.904 -7.120 20.997 1.00 1.12 O ATOM 1159 CB LYS A 73 -10.554 -6.575 20.480 1.00 51.30 C ATOM 1160 CG LYS A 73 -10.802 -7.842 21.279 1.00 22.33 C ATOM 1161 CD LYS A 73 -12.275 -8.015 21.607 1.00 33.55 C ATOM 1162 CE LYS A 73 -12.656 -9.485 21.703 1.00 10.00 C ATOM 1163 NZ LYS A 73 -14.064 -9.665 22.154 1.00 23.02 N ATOM 0 H LYS A 73 -9.652 -4.139 19.660 1.00 23.12 H new ATOM 0 HA LYS A 73 -10.004 -5.509 22.264 1.00 3.23 H new ATOM 0 HB2 LYS A 73 -11.513 -6.124 20.223 1.00 51.30 H new ATOM 0 HB3 LYS A 73 -10.063 -6.837 19.543 1.00 51.30 H new ATOM 0 HG2 LYS A 73 -10.451 -8.705 20.713 1.00 22.33 H new ATOM 0 HG3 LYS A 73 -10.224 -7.810 22.203 1.00 22.33 H new ATOM 0 HD2 LYS A 73 -12.500 -7.517 22.550 1.00 33.55 H new ATOM 0 HD3 LYS A 73 -12.879 -7.531 20.840 1.00 33.55 H new ATOM 0 HE2 LYS A 73 -12.523 -9.959 20.730 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -11.985 -9.989 22.398 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -14.285 -10.680 22.207 1.00 23.02 H new ATOM 0 HZ2 LYS A 73 -14.185 -9.235 23.093 1.00 23.02 H new ATOM 0 HZ3 LYS A 73 -14.707 -9.206 21.478 1.00 23.02 H new ATOM 1177 N ARG A 74 -7.346 -4.958 21.277 1.00 50.24 N ATOM 1178 CA ARG A 74 -5.911 -5.209 21.232 1.00 4.13 C ATOM 1179 C ARG A 74 -5.257 -4.864 22.567 1.00 1.32 C ATOM 1180 O ARG A 74 -5.305 -3.719 23.017 1.00 13.42 O ATOM 1181 CB ARG A 74 -5.263 -4.396 20.110 1.00 53.51 C ATOM 1182 CG ARG A 74 -5.817 -4.713 18.730 1.00 22.24 C ATOM 1183 CD ARG A 74 -7.079 -3.917 18.440 1.00 50.44 C ATOM 1184 NE ARG A 74 -6.944 -3.096 17.239 1.00 1.12 N ATOM 1185 CZ ARG A 74 -7.977 -2.604 16.565 1.00 74.43 C ATOM 1186 NH1 ARG A 74 -9.215 -2.849 16.971 1.00 34.23 N ATOM 1187 NH2 ARG A 74 -7.773 -1.866 15.481 1.00 15.14 N ATOM 0 H ARG A 74 -7.599 -3.979 21.409 1.00 50.24 H new ATOM 0 HA ARG A 74 -5.760 -6.270 21.035 1.00 4.13 H new ATOM 0 HB2 ARG A 74 -5.404 -3.335 20.314 1.00 53.51 H new ATOM 0 HB3 ARG A 74 -4.189 -4.581 20.112 1.00 53.51 H new ATOM 0 HG2 ARG A 74 -5.064 -4.490 17.974 1.00 22.24 H new ATOM 0 HG3 ARG A 74 -6.034 -5.779 18.660 1.00 22.24 H new ATOM 0 HD2 ARG A 74 -7.919 -4.601 18.319 1.00 50.44 H new ATOM 0 HD3 ARG A 74 -7.308 -3.278 19.292 1.00 50.44 H new ATOM 0 HE ARG A 74 -6.005 -2.889 16.900 1.00 1.12 H new ATOM 0 HH11 ARG A 74 -9.376 -3.417 17.803 1.00 34.23 H new ATOM 0 HH12 ARG A 74 -10.007 -2.470 16.451 1.00 34.23 H new ATOM 0 HH21 ARG A 74 -6.822 -1.676 15.165 1.00 15.14 H new ATOM 0 HH22 ARG A 74 -8.567 -1.489 14.964 1.00 15.14 H new ATOM 1201 N LYS A 75 -4.646 -5.862 23.197 1.00 40.25 N ATOM 1202 CA LYS A 75 -3.982 -5.665 24.479 1.00 24.45 C ATOM 1203 C LYS A 75 -3.011 -4.490 24.415 1.00 30.43 C ATOM 1204 O LYS A 75 -2.440 -4.201 23.365 1.00 65.41 O ATOM 1205 CB LYS A 75 -3.234 -6.936 24.890 1.00 71.22 C ATOM 1206 CG LYS A 75 -4.128 -8.160 24.997 1.00 3.41 C ATOM 1207 CD LYS A 75 -3.443 -9.285 25.754 1.00 33.41 C ATOM 1208 CE LYS A 75 -3.626 -9.138 27.257 1.00 63.00 C ATOM 1209 NZ LYS A 75 -3.146 -10.339 27.994 1.00 23.54 N ATOM 0 H LYS A 75 -4.597 -6.816 22.840 1.00 40.25 H new ATOM 0 HA LYS A 75 -4.746 -5.442 25.224 1.00 24.45 H new ATOM 0 HB2 LYS A 75 -2.446 -7.135 24.164 1.00 71.22 H new ATOM 0 HB3 LYS A 75 -2.747 -6.767 25.851 1.00 71.22 H new ATOM 0 HG2 LYS A 75 -5.055 -7.891 25.503 1.00 3.41 H new ATOM 0 HG3 LYS A 75 -4.398 -8.503 23.998 1.00 3.41 H new ATOM 0 HD2 LYS A 75 -3.848 -10.243 25.429 1.00 33.41 H new ATOM 0 HD3 LYS A 75 -2.380 -9.291 25.515 1.00 33.41 H new ATOM 0 HE2 LYS A 75 -3.084 -8.258 27.604 1.00 63.00 H new ATOM 0 HE3 LYS A 75 -4.680 -8.972 27.480 1.00 63.00 H new ATOM 0 HZ1 LYS A 75 -3.288 -10.200 29.015 1.00 23.54 H new ATOM 0 HZ2 LYS A 75 -3.680 -11.175 27.681 1.00 23.54 H new ATOM 0 HZ3 LYS A 75 -2.134 -10.483 27.802 1.00 23.54 H new ATOM 1223 N GLY A 76 -2.829 -3.817 25.547 1.00 5.41 N ATOM 1224 CA GLY A 76 -1.925 -2.682 25.597 1.00 13.24 C ATOM 1225 C GLY A 76 -2.621 -1.373 25.282 1.00 40.33 C ATOM 1226 O GLY A 76 -1.968 -0.359 25.033 1.00 54.24 O ATOM 0 H GLY A 76 -3.291 -4.037 26.430 1.00 5.41 H new ATOM 0 HA2 GLY A 76 -1.476 -2.622 26.589 1.00 13.24 H new ATOM 0 HA3 GLY A 76 -1.112 -2.837 24.888 1.00 13.24 H new ATOM 1230 N PHE A 77 -3.950 -1.393 25.290 1.00 23.40 N ATOM 1231 CA PHE A 77 -4.735 -0.199 25.000 1.00 62.44 C ATOM 1232 C PHE A 77 -4.456 0.897 26.023 1.00 2.32 C ATOM 1233 O PHE A 77 -4.423 0.644 27.227 1.00 64.15 O ATOM 1234 CB PHE A 77 -6.228 -0.535 24.989 1.00 4.10 C ATOM 1235 CG PHE A 77 -6.764 -0.926 26.337 1.00 42.44 C ATOM 1236 CD1 PHE A 77 -7.257 0.034 27.205 1.00 13.34 C ATOM 1237 CD2 PHE A 77 -6.774 -2.253 26.735 1.00 42.34 C ATOM 1238 CE1 PHE A 77 -7.752 -0.322 28.446 1.00 2.21 C ATOM 1239 CE2 PHE A 77 -7.267 -2.615 27.974 1.00 54.23 C ATOM 1240 CZ PHE A 77 -7.756 -1.648 28.831 1.00 62.20 C ATOM 0 H PHE A 77 -4.506 -2.223 25.494 1.00 23.40 H new ATOM 0 HA PHE A 77 -4.445 0.166 24.015 1.00 62.44 H new ATOM 0 HB2 PHE A 77 -6.784 0.328 24.622 1.00 4.10 H new ATOM 0 HB3 PHE A 77 -6.404 -1.350 24.287 1.00 4.10 H new ATOM 0 HD1 PHE A 77 -7.255 1.073 26.909 1.00 13.34 H new ATOM 0 HD2 PHE A 77 -6.392 -3.013 26.069 1.00 42.34 H new ATOM 0 HE1 PHE A 77 -8.135 0.436 29.113 1.00 2.21 H new ATOM 0 HE2 PHE A 77 -7.270 -3.653 28.272 1.00 54.23 H new ATOM 0 HZ PHE A 77 -8.141 -1.929 29.800 1.00 62.20 H new ATOM 1250 N ASN A 78 -4.255 2.117 25.535 1.00 51.01 N ATOM 1251 CA ASN A 78 -3.978 3.253 26.406 1.00 5.13 C ATOM 1252 C ASN A 78 -2.649 3.069 27.134 1.00 34.41 C ATOM 1253 O ASN A 78 -2.409 3.683 28.173 1.00 55.44 O ATOM 1254 CB ASN A 78 -5.108 3.432 27.422 1.00 61.42 C ATOM 1255 CG ASN A 78 -5.648 4.848 27.442 1.00 11.54 C ATOM 1256 OD1 ASN A 78 -5.807 5.448 28.506 1.00 54.54 O ATOM 1257 ND2 ASN A 78 -5.933 5.390 26.264 1.00 50.11 N ATOM 0 H ASN A 78 -4.279 2.344 24.541 1.00 51.01 H new ATOM 0 HA ASN A 78 -3.912 4.147 25.785 1.00 5.13 H new ATOM 0 HB2 ASN A 78 -5.917 2.741 27.187 1.00 61.42 H new ATOM 0 HB3 ASN A 78 -4.744 3.171 28.416 1.00 61.42 H new ATOM 0 HD21 ASN A 78 -6.300 6.341 26.215 1.00 50.11 H new ATOM 0 HD22 ASN A 78 -5.785 4.856 25.408 1.00 50.11 H new ATOM 1264 N GLU A 79 -1.790 2.218 26.581 1.00 55.35 N ATOM 1265 CA GLU A 79 -0.487 1.953 27.178 1.00 42.24 C ATOM 1266 C GLU A 79 0.629 2.583 26.349 1.00 3.11 C ATOM 1267 O GLU A 79 1.645 1.948 26.071 1.00 23.52 O ATOM 1268 CB GLU A 79 -0.255 0.446 27.303 1.00 74.12 C ATOM 1269 CG GLU A 79 -1.384 -0.287 28.008 1.00 13.43 C ATOM 1270 CD GLU A 79 -1.630 0.234 29.411 1.00 34.42 C ATOM 1271 OE1 GLU A 79 -0.720 0.113 30.257 1.00 11.44 O ATOM 1272 OE2 GLU A 79 -2.734 0.761 29.662 1.00 11.44 O ATOM 0 H GLU A 79 -1.973 1.701 25.721 1.00 55.35 H new ATOM 0 HA GLU A 79 -0.474 2.399 28.173 1.00 42.24 H new ATOM 0 HB2 GLU A 79 -0.125 0.023 26.307 1.00 74.12 H new ATOM 0 HB3 GLU A 79 0.674 0.274 27.846 1.00 74.12 H new ATOM 0 HG2 GLU A 79 -2.298 -0.189 27.422 1.00 13.43 H new ATOM 0 HG3 GLU A 79 -1.149 -1.350 28.055 1.00 13.43 H new ATOM 1279 N GLY A 80 0.431 3.838 25.957 1.00 42.12 N ATOM 1280 CA GLY A 80 1.428 4.533 25.164 1.00 51.44 C ATOM 1281 C GLY A 80 0.920 4.895 23.782 1.00 63.43 C ATOM 1282 O GLY A 80 1.708 5.111 22.860 1.00 51.03 O ATOM 0 H GLY A 80 -0.402 4.385 26.174 1.00 42.12 H new ATOM 0 HA2 GLY A 80 1.734 5.440 25.685 1.00 51.44 H new ATOM 0 HA3 GLY A 80 2.314 3.906 25.069 1.00 51.44 H new ATOM 1286 N LEU A 81 -0.399 4.959 23.636 1.00 65.32 N ATOM 1287 CA LEU A 81 -1.011 5.295 22.355 1.00 32.32 C ATOM 1288 C LEU A 81 -0.868 6.784 22.057 1.00 20.31 C ATOM 1289 O LEU A 81 -0.734 7.185 20.901 1.00 2.11 O ATOM 1290 CB LEU A 81 -2.490 4.903 22.357 1.00 41.14 C ATOM 1291 CG LEU A 81 -3.297 5.325 21.128 1.00 11.14 C ATOM 1292 CD1 LEU A 81 -3.404 4.175 20.139 1.00 34.02 C ATOM 1293 CD2 LEU A 81 -4.680 5.808 21.540 1.00 53.24 C ATOM 0 H LEU A 81 -1.065 4.783 24.388 1.00 65.32 H new ATOM 0 HA LEU A 81 -0.494 4.736 21.575 1.00 32.32 H new ATOM 0 HB2 LEU A 81 -2.558 3.820 22.457 1.00 41.14 H new ATOM 0 HB3 LEU A 81 -2.959 5.335 23.241 1.00 41.14 H new ATOM 0 HG LEU A 81 -2.777 6.149 20.640 1.00 11.14 H new ATOM 0 HD11 LEU A 81 -3.981 4.494 19.271 1.00 34.02 H new ATOM 0 HD12 LEU A 81 -2.406 3.875 19.820 1.00 34.02 H new ATOM 0 HD13 LEU A 81 -3.902 3.330 20.616 1.00 34.02 H new ATOM 0 HD21 LEU A 81 -5.241 6.104 20.654 1.00 53.24 H new ATOM 0 HD22 LEU A 81 -5.209 5.004 22.052 1.00 53.24 H new ATOM 0 HD23 LEU A 81 -4.582 6.662 22.210 1.00 53.24 H new ATOM 1305 N TRP A 82 -0.895 7.597 23.107 1.00 74.14 N ATOM 1306 CA TRP A 82 -0.766 9.042 22.957 1.00 14.01 C ATOM 1307 C TRP A 82 0.652 9.422 22.546 1.00 53.31 C ATOM 1308 O TRP A 82 0.897 10.539 22.092 1.00 54.41 O ATOM 1309 CB TRP A 82 -1.138 9.746 24.263 1.00 21.34 C ATOM 1310 CG TRP A 82 -0.676 11.170 24.323 1.00 52.42 C ATOM 1311 CD1 TRP A 82 -1.376 12.276 23.930 1.00 23.32 C ATOM 1312 CD2 TRP A 82 0.588 11.642 24.801 1.00 1.21 C ATOM 1313 NE1 TRP A 82 -0.622 13.406 24.136 1.00 53.33 N ATOM 1314 CE2 TRP A 82 0.586 13.045 24.670 1.00 61.30 C ATOM 1315 CE3 TRP A 82 1.721 11.017 25.329 1.00 33.14 C ATOM 1316 CZ2 TRP A 82 1.673 13.829 25.047 1.00 61.11 C ATOM 1317 CZ3 TRP A 82 2.799 11.797 25.703 1.00 72.53 C ATOM 1318 CH2 TRP A 82 2.769 13.190 25.561 1.00 52.21 C ATOM 0 H TRP A 82 -1.005 7.281 24.070 1.00 74.14 H new ATOM 0 HA TRP A 82 -1.450 9.363 22.172 1.00 14.01 H new ATOM 0 HB2 TRP A 82 -2.221 9.717 24.387 1.00 21.34 H new ATOM 0 HB3 TRP A 82 -0.707 9.196 25.099 1.00 21.34 H new ATOM 0 HD1 TRP A 82 -2.374 12.264 23.518 1.00 23.32 H new ATOM 0 HE1 TRP A 82 -0.915 14.360 23.925 1.00 53.33 H new ATOM 0 HE3 TRP A 82 1.754 9.944 25.443 1.00 33.14 H new ATOM 0 HZ2 TRP A 82 1.652 14.903 24.938 1.00 61.11 H new ATOM 0 HZ3 TRP A 82 3.680 11.324 26.112 1.00 72.53 H new ATOM 0 HH2 TRP A 82 3.628 13.771 25.863 1.00 52.21 H new ATOM 1329 N GLU A 83 1.582 8.486 22.708 1.00 54.20 N ATOM 1330 CA GLU A 83 2.976 8.726 22.353 1.00 35.43 C ATOM 1331 C GLU A 83 3.157 8.737 20.838 1.00 3.03 C ATOM 1332 O GLU A 83 3.996 9.467 20.309 1.00 72.02 O ATOM 1333 CB GLU A 83 3.875 7.657 22.978 1.00 73.42 C ATOM 1334 CG GLU A 83 4.280 7.963 24.410 1.00 62.13 C ATOM 1335 CD GLU A 83 4.751 6.732 25.159 1.00 65.42 C ATOM 1336 OE1 GLU A 83 4.598 5.615 24.622 1.00 60.23 O ATOM 1337 OE2 GLU A 83 5.274 6.886 26.283 1.00 62.54 O ATOM 0 H GLU A 83 1.396 7.556 23.082 1.00 54.20 H new ATOM 0 HA GLU A 83 3.261 9.703 22.742 1.00 35.43 H new ATOM 0 HB2 GLU A 83 3.357 6.698 22.953 1.00 73.42 H new ATOM 0 HB3 GLU A 83 4.774 7.549 22.370 1.00 73.42 H new ATOM 0 HG2 GLU A 83 5.075 8.708 24.407 1.00 62.13 H new ATOM 0 HG3 GLU A 83 3.433 8.402 24.937 1.00 62.13 H new ATOM 1344 N ILE A 84 2.366 7.923 20.147 1.00 24.04 N ATOM 1345 CA ILE A 84 2.439 7.840 18.694 1.00 63.50 C ATOM 1346 C ILE A 84 2.061 9.168 18.047 1.00 20.25 C ATOM 1347 O ILE A 84 2.333 9.396 16.869 1.00 44.03 O ATOM 1348 CB ILE A 84 1.517 6.734 18.147 1.00 64.04 C ATOM 1349 CG1 ILE A 84 1.940 6.342 16.729 1.00 5.23 C ATOM 1350 CG2 ILE A 84 0.068 7.196 18.164 1.00 41.22 C ATOM 1351 CD1 ILE A 84 1.096 5.240 16.130 1.00 71.14 C ATOM 0 H ILE A 84 1.667 7.312 20.570 1.00 24.04 H new ATOM 0 HA ILE A 84 3.472 7.598 18.443 1.00 63.50 H new ATOM 0 HB ILE A 84 1.606 5.857 18.788 1.00 64.04 H new ATOM 0 HG12 ILE A 84 1.885 7.221 16.086 1.00 5.23 H new ATOM 0 HG13 ILE A 84 2.982 6.023 16.745 1.00 5.23 H new ATOM 0 HG21 ILE A 84 -0.571 6.404 17.775 1.00 41.22 H new ATOM 0 HG22 ILE A 84 -0.227 7.431 19.187 1.00 41.22 H new ATOM 0 HG23 ILE A 84 -0.038 8.085 17.543 1.00 41.22 H new ATOM 0 HD11 ILE A 84 1.452 5.014 15.125 1.00 71.14 H new ATOM 0 HD12 ILE A 84 1.170 4.347 16.751 1.00 71.14 H new ATOM 0 HD13 ILE A 84 0.056 5.563 16.082 1.00 71.14 H new ATOM 1363 N ASP A 85 1.433 10.041 18.827 1.00 4.21 N ATOM 1364 CA ASP A 85 1.020 11.349 18.332 1.00 51.02 C ATOM 1365 C ASP A 85 1.773 12.465 19.049 1.00 22.11 C ATOM 1366 O ASP A 85 1.482 13.645 18.860 1.00 60.03 O ATOM 1367 CB ASP A 85 -0.487 11.534 18.515 1.00 12.43 C ATOM 1368 CG ASP A 85 -1.091 12.442 17.462 1.00 74.12 C ATOM 1369 OD1 ASP A 85 -1.095 12.052 16.275 1.00 15.55 O ATOM 1370 OD2 ASP A 85 -1.559 13.542 17.824 1.00 54.15 O ATOM 0 H ASP A 85 1.199 9.867 19.804 1.00 4.21 H new ATOM 0 HA ASP A 85 1.258 11.400 17.270 1.00 51.02 H new ATOM 0 HB2 ASP A 85 -0.977 10.561 18.476 1.00 12.43 H new ATOM 0 HB3 ASP A 85 -0.682 11.949 19.504 1.00 12.43 H new ATOM 1375 N ASN A 86 2.742 12.082 19.874 1.00 4.21 N ATOM 1376 CA ASN A 86 3.537 13.051 20.621 1.00 33.55 C ATOM 1377 C ASN A 86 4.987 12.591 20.738 1.00 72.34 C ATOM 1378 O ASN A 86 5.887 13.187 20.148 1.00 54.04 O ATOM 1379 CB ASN A 86 2.943 13.260 22.016 1.00 42.40 C ATOM 1380 CG ASN A 86 1.696 14.123 21.990 1.00 45.31 C ATOM 1381 OD1 ASN A 86 1.725 15.288 22.389 1.00 65.41 O ATOM 1382 ND2 ASN A 86 0.593 13.554 21.519 1.00 50.33 N ATOM 0 H ASN A 86 2.996 11.109 20.042 1.00 4.21 H new ATOM 0 HA ASN A 86 3.517 13.996 20.078 1.00 33.55 H new ATOM 0 HB2 ASN A 86 2.702 12.291 22.454 1.00 42.40 H new ATOM 0 HB3 ASN A 86 3.690 13.725 22.660 1.00 42.40 H new ATOM 0 HD21 ASN A 86 -0.277 14.085 21.477 1.00 50.33 H new ATOM 0 HD22 ASN A 86 0.615 12.586 21.199 1.00 50.33 H new ATOM 1389 N ASN A 87 5.205 11.526 21.502 1.00 33.33 N ATOM 1390 CA ASN A 87 6.545 10.985 21.696 1.00 4.30 C ATOM 1391 C ASN A 87 6.681 9.617 21.036 1.00 71.42 C ATOM 1392 O ASN A 87 6.694 8.579 21.698 1.00 34.21 O ATOM 1393 CB ASN A 87 6.864 10.878 23.189 1.00 74.33 C ATOM 1394 CG ASN A 87 8.324 10.561 23.447 1.00 31.22 C ATOM 1395 OD1 ASN A 87 9.090 10.309 22.517 1.00 41.10 O ATOM 1396 ND2 ASN A 87 8.716 10.572 24.716 1.00 70.31 N ATOM 0 H ASN A 87 4.471 11.020 21.997 1.00 33.33 H new ATOM 0 HA ASN A 87 7.255 11.666 21.228 1.00 4.30 H new ATOM 0 HB2 ASN A 87 6.606 11.816 23.681 1.00 74.33 H new ATOM 0 HB3 ASN A 87 6.242 10.102 23.636 1.00 74.33 H new ATOM 0 HD21 ASN A 87 9.687 10.366 24.952 1.00 70.31 H new ATOM 0 HD22 ASN A 87 8.046 10.786 25.455 1.00 70.31 H new ATOM 1403 N PRO A 88 6.785 9.613 19.699 1.00 63.54 N ATOM 1404 CA PRO A 88 6.923 8.379 18.919 1.00 20.31 C ATOM 1405 C PRO A 88 8.279 7.711 19.125 1.00 55.31 C ATOM 1406 O PRO A 88 8.505 6.589 18.671 1.00 3.33 O ATOM 1407 CB PRO A 88 6.776 8.855 17.472 1.00 53.01 C ATOM 1408 CG PRO A 88 7.194 10.285 17.499 1.00 33.33 C ATOM 1409 CD PRO A 88 6.777 10.812 18.845 1.00 44.14 C ATOM 0 HA PRO A 88 6.189 7.628 19.212 1.00 20.31 H new ATOM 0 HB2 PRO A 88 7.403 8.272 16.798 1.00 53.01 H new ATOM 0 HB3 PRO A 88 5.749 8.749 17.123 1.00 53.01 H new ATOM 0 HG2 PRO A 88 8.271 10.380 17.359 1.00 33.33 H new ATOM 0 HG3 PRO A 88 6.718 10.846 16.695 1.00 33.33 H new ATOM 0 HD2 PRO A 88 7.469 11.571 19.211 1.00 44.14 H new ATOM 0 HD3 PRO A 88 5.790 11.272 18.808 1.00 44.14 H new ATOM 1417 N LYS A 89 9.177 8.408 19.812 1.00 25.31 N ATOM 1418 CA LYS A 89 10.511 7.883 20.080 1.00 20.42 C ATOM 1419 C LYS A 89 10.734 7.703 21.578 1.00 31.24 C ATOM 1420 O LYS A 89 11.841 7.899 22.079 1.00 22.54 O ATOM 1421 CB LYS A 89 11.576 8.819 19.504 1.00 34.02 C ATOM 1422 CG LYS A 89 11.637 8.810 17.987 1.00 71.14 C ATOM 1423 CD LYS A 89 12.801 9.640 17.471 1.00 75.35 C ATOM 1424 CE LYS A 89 12.859 9.634 15.951 1.00 74.44 C ATOM 1425 NZ LYS A 89 14.192 10.062 15.445 1.00 61.02 N ATOM 0 H LYS A 89 9.006 9.338 20.194 1.00 25.31 H new ATOM 0 HA LYS A 89 10.594 6.909 19.598 1.00 20.42 H new ATOM 0 HB2 LYS A 89 11.378 9.835 19.845 1.00 34.02 H new ATOM 0 HB3 LYS A 89 12.551 8.534 19.900 1.00 34.02 H new ATOM 0 HG2 LYS A 89 11.735 7.784 17.632 1.00 71.14 H new ATOM 0 HG3 LYS A 89 10.703 9.200 17.582 1.00 71.14 H new ATOM 0 HD2 LYS A 89 12.705 10.665 17.828 1.00 75.35 H new ATOM 0 HD3 LYS A 89 13.735 9.248 17.873 1.00 75.35 H new ATOM 0 HE2 LYS A 89 12.635 8.633 15.583 1.00 74.44 H new ATOM 0 HE3 LYS A 89 12.090 10.298 15.556 1.00 74.44 H new ATOM 0 HZ1 LYS A 89 14.191 10.044 14.405 1.00 61.02 H new ATOM 0 HZ2 LYS A 89 14.395 11.027 15.775 1.00 61.02 H new ATOM 0 HZ3 LYS A 89 14.923 9.414 15.801 1.00 61.02 H new ATOM 1439 N VAL A 90 9.675 7.327 22.289 1.00 51.51 N ATOM 1440 CA VAL A 90 9.756 7.119 23.730 1.00 72.55 C ATOM 1441 C VAL A 90 10.745 6.010 24.069 1.00 23.43 C ATOM 1442 O VAL A 90 11.233 5.921 25.196 1.00 32.24 O ATOM 1443 CB VAL A 90 8.380 6.763 24.323 1.00 13.44 C ATOM 1444 CG1 VAL A 90 7.897 5.423 23.789 1.00 2.41 C ATOM 1445 CG2 VAL A 90 8.443 6.749 25.843 1.00 24.02 C ATOM 0 H VAL A 90 8.751 7.160 21.890 1.00 51.51 H new ATOM 0 HA VAL A 90 10.101 8.056 24.167 1.00 72.55 H new ATOM 0 HB VAL A 90 7.664 7.527 24.018 1.00 13.44 H new ATOM 0 HG11 VAL A 90 6.923 5.189 24.220 1.00 2.41 H new ATOM 0 HG12 VAL A 90 7.811 5.474 22.704 1.00 2.41 H new ATOM 0 HG13 VAL A 90 8.610 4.645 24.061 1.00 2.41 H new ATOM 0 HG21 VAL A 90 7.462 6.496 26.245 1.00 24.02 H new ATOM 0 HG22 VAL A 90 9.172 6.008 26.170 1.00 24.02 H new ATOM 0 HG23 VAL A 90 8.740 7.734 26.204 1.00 24.02 H new ATOM 1455 N LYS A 91 11.039 5.165 23.087 1.00 71.23 N ATOM 1456 CA LYS A 91 11.972 4.061 23.279 1.00 1.11 C ATOM 1457 C LYS A 91 13.285 4.557 23.876 1.00 23.11 C ATOM 1458 O LYS A 91 13.959 3.832 24.609 1.00 73.45 O ATOM 1459 CB LYS A 91 12.239 3.354 21.948 1.00 3.15 C ATOM 1460 CG LYS A 91 12.859 4.255 20.894 1.00 11.35 C ATOM 1461 CD LYS A 91 14.327 3.931 20.677 1.00 43.01 C ATOM 1462 CE LYS A 91 14.840 4.519 19.371 1.00 24.41 C ATOM 1463 NZ LYS A 91 15.203 5.956 19.514 1.00 21.23 N ATOM 0 H LYS A 91 10.644 5.224 22.148 1.00 71.23 H new ATOM 0 HA LYS A 91 11.521 3.353 23.975 1.00 1.11 H new ATOM 0 HB2 LYS A 91 12.900 2.506 22.123 1.00 3.15 H new ATOM 0 HB3 LYS A 91 11.301 2.953 21.565 1.00 3.15 H new ATOM 0 HG2 LYS A 91 12.318 4.143 19.954 1.00 11.35 H new ATOM 0 HG3 LYS A 91 12.757 5.297 21.199 1.00 11.35 H new ATOM 0 HD2 LYS A 91 14.914 4.322 21.508 1.00 43.01 H new ATOM 0 HD3 LYS A 91 14.465 2.850 20.670 1.00 43.01 H new ATOM 0 HE2 LYS A 91 15.711 3.956 19.037 1.00 24.41 H new ATOM 0 HE3 LYS A 91 14.077 4.412 18.600 1.00 24.41 H new ATOM 0 HZ1 LYS A 91 15.548 6.319 18.603 1.00 21.23 H new ATOM 0 HZ2 LYS A 91 14.366 6.498 19.808 1.00 21.23 H new ATOM 0 HZ3 LYS A 91 15.949 6.056 20.231 1.00 21.23 H new ATOM 1477 N PHE A 92 13.643 5.797 23.560 1.00 61.14 N ATOM 1478 CA PHE A 92 14.876 6.390 24.065 1.00 32.43 C ATOM 1479 C PHE A 92 14.958 6.262 25.584 1.00 74.03 C ATOM 1480 O PHE A 92 14.298 6.999 26.316 1.00 52.41 O ATOM 1481 CB PHE A 92 14.962 7.863 23.661 1.00 72.22 C ATOM 1482 CG PHE A 92 16.355 8.422 23.724 1.00 35.52 C ATOM 1483 CD1 PHE A 92 17.357 7.911 22.916 1.00 44.32 C ATOM 1484 CD2 PHE A 92 16.661 9.457 24.593 1.00 71.31 C ATOM 1485 CE1 PHE A 92 18.640 8.423 22.971 1.00 1.45 C ATOM 1486 CE2 PHE A 92 17.941 9.973 24.653 1.00 45.14 C ATOM 1487 CZ PHE A 92 18.933 9.455 23.842 1.00 54.11 C ATOM 0 H PHE A 92 13.096 6.411 22.956 1.00 61.14 H new ATOM 0 HA PHE A 92 15.715 5.851 23.626 1.00 32.43 H new ATOM 0 HB2 PHE A 92 14.579 7.976 22.647 1.00 72.22 H new ATOM 0 HB3 PHE A 92 14.314 8.449 24.313 1.00 72.22 H new ATOM 0 HD1 PHE A 92 17.134 7.103 22.235 1.00 44.32 H new ATOM 0 HD2 PHE A 92 15.890 9.865 25.230 1.00 71.31 H new ATOM 0 HE1 PHE A 92 19.412 8.017 22.334 1.00 1.45 H new ATOM 0 HE2 PHE A 92 18.166 10.781 25.333 1.00 45.14 H new ATOM 0 HZ PHE A 92 19.935 9.856 23.889 1.00 54.11 H new ATOM 1497 N SER A 93 15.772 5.320 26.049 1.00 12.23 N ATOM 1498 CA SER A 93 15.937 5.092 27.480 1.00 64.20 C ATOM 1499 C SER A 93 16.436 6.354 28.177 1.00 23.24 C ATOM 1500 O SER A 93 17.539 6.828 27.910 1.00 62.21 O ATOM 1501 CB SER A 93 16.915 3.940 27.724 1.00 14.34 C ATOM 1502 OG SER A 93 16.576 3.225 28.900 1.00 73.33 O ATOM 0 H SER A 93 16.327 4.703 25.456 1.00 12.23 H new ATOM 0 HA SER A 93 14.965 4.829 27.896 1.00 64.20 H new ATOM 0 HB2 SER A 93 16.907 3.264 26.869 1.00 14.34 H new ATOM 0 HB3 SER A 93 17.929 4.331 27.812 1.00 14.34 H new ATOM 0 HG SER A 93 17.214 2.493 29.033 1.00 73.33 H new TER 1508 SER A 93