USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 789 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 52 ASN : amide:sc= 0 K(o=1.3,f=-1!) USER MOD Set 1.2: A 67 TYR OH : rot -123:sc= 1.31 USER MOD Set 1.3: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 40 THR OG1 : rot -130:sc= 0.899 USER MOD Set 3.2: A 48 TYR OH : rot -140:sc= 0.172 USER MOD Set 4.1: A 16 GLN : amide:sc= 0.0105 X(o=0.019,f=0) USER MOD Set 4.2: A 17 CYS SG : rot 180:sc= 0.00868 USER MOD Single : A 1 GLY N :NH3+ -166:sc= -0.986 (180deg=-1.9) USER MOD Single : A 5 LYS NZ :NH3+ 166:sc=-0.00389 (180deg=-0.122) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.666 K(o=0.67,f=-0.04) USER MOD Single : A 13 LYS NZ :NH3+ -154:sc= 1.1 (180deg=0.854) USER MOD Single : A 14 CYS SG : rot -150:sc= -1.73 USER MOD Single : A 18 HIS : no HE2:sc= 0.166 K(o=0.17,f=-3.9!) USER MOD Single : A 19 THR OG1 : rot -33:sc= 0.891 USER MOD Single : A 28 THR OG1 : rot 27:sc= 0.57 USER MOD Single : A 31 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.23) USER MOD Single : A 33 HIS : no HE2:sc= 0.275 K(o=0.28,f=-2.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -49:sc= 0.844 USER MOD Single : A 49 THR OG1 : rot -140:sc= 0.526 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.27) USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= 0.705 (180deg=0.685) USER MOD Single : A 63 THR OG1 : rot -160:sc= -0.122 USER MOD Single : A 65 MET CE :methyl -132:sc= -0.0474 (180deg=-0.385) USER MOD Single : A 70 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.08) USER MOD Single : A 74 TYR OH : rot 30:sc= -0.611 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.0577 (180deg=-0.0577) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0429 USER MOD Single : A 97 TYR OH : rot 120:sc= -0.32 USER MOD Single : A 99 LYS NZ :NH3+ -176:sc= 1.16 (180deg=1.15) USER MOD Single : A 100 LYS NZ :NH3+ 159:sc= 1.16 (180deg=1.06) USER MOD Single : A 102 THR OG1 : rot -36:sc= 0.387 USER MOD Single : A 103 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.407 9.817 3.509 1.00 0.00 N ATOM 2 CA GLY A 1 -10.768 10.332 4.713 1.00 0.00 C ATOM 3 C GLY A 1 -9.874 11.443 4.191 1.00 0.00 C ATOM 4 O GLY A 1 -10.274 12.042 3.191 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.212 9.215 3.774 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.745 10.611 2.928 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.721 9.257 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.501 10.708 5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.192 9.560 5.224 1.00 0.00 H new ATOM 10 N ASP A 2 -8.716 11.694 4.786 1.00 0.00 N ATOM 11 CA ASP A 2 -7.811 12.755 4.348 1.00 0.00 C ATOM 12 C ASP A 2 -6.365 12.258 4.310 1.00 0.00 C ATOM 13 O ASP A 2 -6.049 11.220 4.885 1.00 0.00 O ATOM 14 CB ASP A 2 -7.985 13.984 5.252 1.00 0.00 C ATOM 15 CG ASP A 2 -7.399 15.234 4.610 1.00 0.00 C ATOM 16 OD1 ASP A 2 -6.152 15.306 4.572 1.00 0.00 O ATOM 17 OD2 ASP A 2 -8.198 16.053 4.119 1.00 0.00 O ATOM 0 H ASP A 2 -8.374 11.167 5.589 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.062 13.050 3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.044 14.140 5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.499 13.804 6.211 1.00 0.00 H new ATOM 22 N VAL A 3 -5.482 12.994 3.635 1.00 0.00 N ATOM 23 CA VAL A 3 -4.053 12.741 3.641 1.00 0.00 C ATOM 24 C VAL A 3 -3.452 13.090 4.998 1.00 0.00 C ATOM 25 O VAL A 3 -2.527 12.411 5.431 1.00 0.00 O ATOM 26 CB VAL A 3 -3.333 13.467 2.488 1.00 0.00 C ATOM 27 CG1 VAL A 3 -3.684 14.954 2.347 1.00 0.00 C ATOM 28 CG2 VAL A 3 -1.810 13.342 2.659 1.00 0.00 C ATOM 0 H VAL A 3 -5.750 13.794 3.062 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.903 11.675 3.473 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.681 12.974 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.130 15.381 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.754 15.060 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.418 15.479 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.308 13.858 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.512 13.790 3.607 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.528 12.289 2.651 1.00 0.00 H new ATOM 38 N GLU A 4 -3.945 14.130 5.670 1.00 0.00 N ATOM 39 CA GLU A 4 -3.400 14.533 6.959 1.00 0.00 C ATOM 40 C GLU A 4 -3.543 13.379 7.948 1.00 0.00 C ATOM 41 O GLU A 4 -2.570 12.898 8.529 1.00 0.00 O ATOM 42 CB GLU A 4 -4.116 15.787 7.468 1.00 0.00 C ATOM 43 CG GLU A 4 -3.797 17.013 6.601 1.00 0.00 C ATOM 44 CD GLU A 4 -3.402 18.198 7.472 1.00 0.00 C ATOM 45 OE1 GLU A 4 -4.320 18.935 7.887 1.00 0.00 O ATOM 46 OE2 GLU A 4 -2.187 18.312 7.743 1.00 0.00 O ATOM 0 H GLU A 4 -4.720 14.706 5.341 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.343 14.775 6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.192 15.615 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.819 15.983 8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.987 16.776 5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.666 17.273 5.996 1.00 0.00 H new ATOM 53 N LYS A 5 -4.779 12.908 8.107 1.00 0.00 N ATOM 54 CA LYS A 5 -5.050 11.719 8.890 1.00 0.00 C ATOM 55 C LYS A 5 -4.345 10.515 8.268 1.00 0.00 C ATOM 56 O LYS A 5 -3.659 9.783 8.980 1.00 0.00 O ATOM 57 CB LYS A 5 -6.562 11.500 8.994 1.00 0.00 C ATOM 58 CG LYS A 5 -7.273 12.513 9.898 1.00 0.00 C ATOM 59 CD LYS A 5 -6.720 12.480 11.334 1.00 0.00 C ATOM 60 CE LYS A 5 -7.699 13.058 12.363 1.00 0.00 C ATOM 61 NZ LYS A 5 -8.877 12.188 12.564 1.00 0.00 N ATOM 0 H LYS A 5 -5.608 13.340 7.699 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.661 11.846 9.900 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.997 11.550 7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.749 10.495 9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.155 13.515 9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.342 12.299 9.914 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.483 11.451 11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.787 13.042 11.372 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.185 13.195 13.314 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.029 14.043 12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.386 12.485 13.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.509 12.265 11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.566 11.201 12.671 1.00 0.00 H new ATOM 75 N GLY A 6 -4.490 10.316 6.955 1.00 0.00 N ATOM 76 CA GLY A 6 -3.944 9.157 6.264 1.00 0.00 C ATOM 77 C GLY A 6 -2.467 8.958 6.583 1.00 0.00 C ATOM 78 O GLY A 6 -2.117 7.897 7.081 1.00 0.00 O ATOM 0 H GLY A 6 -4.992 10.960 6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.502 8.266 6.551 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.071 9.281 5.189 1.00 0.00 H new ATOM 82 N LYS A 7 -1.618 9.969 6.370 1.00 0.00 N ATOM 83 CA LYS A 7 -0.197 9.962 6.719 1.00 0.00 C ATOM 84 C LYS A 7 0.040 9.411 8.111 1.00 0.00 C ATOM 85 O LYS A 7 0.915 8.575 8.322 1.00 0.00 O ATOM 86 CB LYS A 7 0.390 11.387 6.680 1.00 0.00 C ATOM 87 CG LYS A 7 0.956 11.768 5.312 1.00 0.00 C ATOM 88 CD LYS A 7 2.375 11.208 5.089 1.00 0.00 C ATOM 89 CE LYS A 7 3.491 12.149 5.564 1.00 0.00 C ATOM 90 NZ LYS A 7 4.821 11.675 5.119 1.00 0.00 N ATOM 0 H LYS A 7 -1.913 10.843 5.935 1.00 0.00 H new ATOM 0 HA LYS A 7 0.292 9.325 5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.386 12.100 6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.179 11.469 7.428 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.294 11.395 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.978 12.854 5.220 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.467 10.256 5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.512 11.002 4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.312 13.152 5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.473 12.218 6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.554 12.332 5.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.000 10.727 5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.845 11.633 4.080 1.00 0.00 H new ATOM 104 N LYS A 8 -0.711 9.936 9.068 1.00 0.00 N ATOM 105 CA LYS A 8 -0.421 9.721 10.470 1.00 0.00 C ATOM 106 C LYS A 8 -0.771 8.282 10.805 1.00 0.00 C ATOM 107 O LYS A 8 0.005 7.561 11.429 1.00 0.00 O ATOM 108 CB LYS A 8 -1.205 10.727 11.326 1.00 0.00 C ATOM 109 CG LYS A 8 -0.634 10.855 12.749 1.00 0.00 C ATOM 110 CD LYS A 8 -1.577 10.375 13.864 1.00 0.00 C ATOM 111 CE LYS A 8 -1.775 8.852 13.861 1.00 0.00 C ATOM 112 NZ LYS A 8 -2.428 8.372 15.096 1.00 0.00 N ATOM 0 H LYS A 8 -1.531 10.517 8.893 1.00 0.00 H new ATOM 0 HA LYS A 8 0.635 9.883 10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.188 11.703 10.841 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.248 10.417 11.382 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.294 10.286 12.806 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.379 11.899 12.931 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.177 10.683 14.830 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.545 10.863 13.750 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.378 8.567 12.999 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.808 8.362 13.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.541 7.339 15.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.841 8.620 15.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.362 8.819 15.191 1.00 0.00 H new ATOM 126 N ILE A 9 -1.976 7.878 10.407 1.00 0.00 N ATOM 127 CA ILE A 9 -2.523 6.582 10.725 1.00 0.00 C ATOM 128 C ILE A 9 -1.691 5.529 9.994 1.00 0.00 C ATOM 129 O ILE A 9 -1.310 4.517 10.578 1.00 0.00 O ATOM 130 CB ILE A 9 -3.998 6.609 10.308 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.803 7.616 11.153 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.582 5.215 10.505 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.179 7.899 10.543 1.00 0.00 C ATOM 0 H ILE A 9 -2.600 8.458 9.847 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.481 6.334 11.786 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.060 6.916 9.264 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.927 7.226 12.163 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.244 8.548 11.237 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.632 5.216 10.213 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.035 4.501 9.890 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.497 4.930 11.554 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.714 8.613 11.169 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.055 8.314 9.543 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.748 6.971 10.483 1.00 0.00 H new ATOM 145 N PHE A 10 -1.381 5.817 8.730 1.00 0.00 N ATOM 146 CA PHE A 10 -0.437 5.083 7.917 1.00 0.00 C ATOM 147 C PHE A 10 0.848 4.851 8.689 1.00 0.00 C ATOM 148 O PHE A 10 1.129 3.728 9.081 1.00 0.00 O ATOM 149 CB PHE A 10 -0.191 5.859 6.613 1.00 0.00 C ATOM 150 CG PHE A 10 0.940 5.352 5.759 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.721 4.293 4.878 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.234 5.865 5.921 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.806 3.667 4.255 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.326 5.241 5.311 1.00 0.00 C ATOM 155 CZ PHE A 10 3.110 4.112 4.505 1.00 0.00 C ATOM 0 H PHE A 10 -1.803 6.602 8.233 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.841 4.103 7.663 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.106 5.840 6.021 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.005 6.902 6.863 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.285 3.957 4.677 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.389 6.749 6.522 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.638 2.840 3.581 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.325 5.623 5.458 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.951 3.586 4.077 1.00 0.00 H new ATOM 165 N VAL A 11 1.620 5.902 8.944 1.00 0.00 N ATOM 166 CA VAL A 11 2.904 5.772 9.603 1.00 0.00 C ATOM 167 C VAL A 11 2.764 4.989 10.916 1.00 0.00 C ATOM 168 O VAL A 11 3.648 4.207 11.261 1.00 0.00 O ATOM 169 CB VAL A 11 3.567 7.160 9.736 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.398 7.322 11.009 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.439 7.534 8.525 1.00 0.00 C ATOM 0 H VAL A 11 1.371 6.860 8.699 1.00 0.00 H new ATOM 0 HA VAL A 11 3.586 5.176 8.997 1.00 0.00 H new ATOM 0 HB VAL A 11 2.720 7.844 9.787 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.833 8.321 11.035 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.759 7.182 11.881 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.195 6.579 11.020 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.876 8.520 8.682 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.235 6.799 8.409 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.825 7.548 7.625 1.00 0.00 H new ATOM 181 N GLN A 12 1.639 5.147 11.624 1.00 0.00 N ATOM 182 CA GLN A 12 1.360 4.373 12.823 1.00 0.00 C ATOM 183 C GLN A 12 1.445 2.857 12.581 1.00 0.00 C ATOM 184 O GLN A 12 1.993 2.170 13.440 1.00 0.00 O ATOM 185 CB GLN A 12 0.012 4.796 13.436 1.00 0.00 C ATOM 186 CG GLN A 12 0.016 4.874 14.971 1.00 0.00 C ATOM 187 CD GLN A 12 -0.413 3.582 15.659 1.00 0.00 C ATOM 188 OE1 GLN A 12 -1.506 3.521 16.211 1.00 0.00 O ATOM 189 NE2 GLN A 12 0.421 2.550 15.648 1.00 0.00 N ATOM 0 H GLN A 12 0.906 5.812 11.378 1.00 0.00 H new ATOM 0 HA GLN A 12 2.141 4.596 13.549 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.268 5.770 13.034 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.756 4.089 13.121 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.018 5.138 15.309 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.648 5.679 15.285 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.324 2.629 15.181 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.159 1.677 16.107 1.00 0.00 H new ATOM 198 N LYS A 13 0.884 2.330 11.479 1.00 0.00 N ATOM 199 CA LYS A 13 0.760 0.877 11.275 1.00 0.00 C ATOM 200 C LYS A 13 1.252 0.322 9.931 1.00 0.00 C ATOM 201 O LYS A 13 1.116 -0.876 9.685 1.00 0.00 O ATOM 202 CB LYS A 13 -0.674 0.436 11.543 1.00 0.00 C ATOM 203 CG LYS A 13 -1.669 1.100 10.591 1.00 0.00 C ATOM 204 CD LYS A 13 -2.694 1.859 11.422 1.00 0.00 C ATOM 205 CE LYS A 13 -3.630 0.893 12.165 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.719 1.616 12.842 1.00 0.00 N ATOM 0 H LYS A 13 0.508 2.891 10.714 1.00 0.00 H new ATOM 0 HA LYS A 13 1.451 0.444 11.998 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.744 -0.647 11.442 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.941 0.678 12.572 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.151 1.780 9.914 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.162 0.349 9.973 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.182 2.499 12.141 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.280 2.512 10.775 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.050 0.176 11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.059 0.322 12.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.054 1.058 13.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.369 2.537 13.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.504 1.764 12.176 1.00 0.00 H new ATOM 220 N CYS A 14 1.805 1.162 9.061 1.00 0.00 N ATOM 221 CA CYS A 14 2.218 0.793 7.714 1.00 0.00 C ATOM 222 C CYS A 14 3.723 1.022 7.603 1.00 0.00 C ATOM 223 O CYS A 14 4.445 0.131 7.175 1.00 0.00 O ATOM 224 CB CYS A 14 1.508 1.612 6.663 1.00 0.00 C ATOM 225 SG CYS A 14 -0.312 1.677 6.709 1.00 0.00 S ATOM 0 H CYS A 14 1.982 2.142 9.280 1.00 0.00 H new ATOM 0 HA CYS A 14 1.961 -0.252 7.542 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.880 2.634 6.730 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.803 1.229 5.686 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.771 1.836 5.503 1.00 0.00 H new ATOM 230 N ALA A 15 4.203 2.208 8.002 1.00 0.00 N ATOM 231 CA ALA A 15 5.594 2.639 7.845 1.00 0.00 C ATOM 232 C ALA A 15 6.627 1.718 8.476 1.00 0.00 C ATOM 233 O ALA A 15 7.756 1.666 7.993 1.00 0.00 O ATOM 234 CB ALA A 15 5.786 4.035 8.403 1.00 0.00 C ATOM 0 H ALA A 15 3.617 2.910 8.454 1.00 0.00 H new ATOM 0 HA ALA A 15 5.768 2.613 6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.826 4.337 8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.138 4.732 7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.532 4.041 9.463 1.00 0.00 H new ATOM 240 N GLN A 16 6.245 1.009 9.542 1.00 0.00 N ATOM 241 CA GLN A 16 7.022 -0.082 10.112 1.00 0.00 C ATOM 242 C GLN A 16 7.606 -0.982 9.016 1.00 0.00 C ATOM 243 O GLN A 16 8.740 -1.444 9.120 1.00 0.00 O ATOM 244 CB GLN A 16 6.138 -0.877 11.087 1.00 0.00 C ATOM 245 CG GLN A 16 4.763 -1.285 10.530 1.00 0.00 C ATOM 246 CD GLN A 16 4.077 -2.290 11.447 1.00 0.00 C ATOM 247 OE1 GLN A 16 3.445 -1.916 12.428 1.00 0.00 O ATOM 248 NE2 GLN A 16 4.207 -3.578 11.143 1.00 0.00 N ATOM 0 H GLN A 16 5.371 1.185 10.038 1.00 0.00 H new ATOM 0 HA GLN A 16 7.869 0.330 10.661 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.673 -1.777 11.388 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.987 -0.280 11.986 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.135 -0.401 10.419 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.883 -1.717 9.537 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.740 -3.856 10.319 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.774 -4.288 11.734 1.00 0.00 H new ATOM 257 N CYS A 17 6.807 -1.219 7.974 1.00 0.00 N ATOM 258 CA CYS A 17 7.158 -1.961 6.785 1.00 0.00 C ATOM 259 C CYS A 17 7.481 -0.994 5.627 1.00 0.00 C ATOM 260 O CYS A 17 8.406 -1.267 4.873 1.00 0.00 O ATOM 261 CB CYS A 17 6.040 -2.929 6.462 1.00 0.00 C ATOM 262 SG CYS A 17 5.762 -4.158 7.787 1.00 0.00 S ATOM 0 H CYS A 17 5.847 -0.875 7.946 1.00 0.00 H new ATOM 0 HA CYS A 17 8.062 -2.547 6.950 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.120 -2.370 6.292 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.273 -3.449 5.533 1.00 0.00 H new ATOM 0 HG CYS A 17 4.791 -4.952 7.446 1.00 0.00 H new ATOM 267 N HIS A 18 6.753 0.126 5.469 1.00 0.00 N ATOM 268 CA HIS A 18 6.786 0.987 4.279 1.00 0.00 C ATOM 269 C HIS A 18 7.113 2.447 4.602 1.00 0.00 C ATOM 270 O HIS A 18 6.228 3.295 4.550 1.00 0.00 O ATOM 271 CB HIS A 18 5.396 0.994 3.639 1.00 0.00 C ATOM 272 CG HIS A 18 4.946 -0.312 3.081 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.210 -0.747 1.806 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.887 -1.026 3.568 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.333 -1.719 1.535 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.525 -1.947 2.580 1.00 0.00 N ATOM 0 H HIS A 18 6.110 0.464 6.185 1.00 0.00 H new ATOM 0 HA HIS A 18 7.561 0.584 3.627 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.672 1.320 4.385 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.386 1.735 2.840 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.937 -0.395 1.183 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.419 -0.902 4.533 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.282 -2.251 0.597 1.00 0.00 H new ATOM 284 N THR A 19 8.353 2.801 4.912 1.00 0.00 N ATOM 285 CA THR A 19 8.670 4.172 5.302 1.00 0.00 C ATOM 286 C THR A 19 8.760 5.117 4.079 1.00 0.00 C ATOM 287 O THR A 19 9.826 5.661 3.789 1.00 0.00 O ATOM 288 CB THR A 19 9.966 4.117 6.117 1.00 0.00 C ATOM 289 OG1 THR A 19 9.985 2.990 6.978 1.00 0.00 O ATOM 290 CG2 THR A 19 10.212 5.387 6.937 1.00 0.00 C ATOM 0 H THR A 19 9.151 2.166 4.902 1.00 0.00 H new ATOM 0 HA THR A 19 7.872 4.595 5.912 1.00 0.00 H new ATOM 0 HB THR A 19 10.770 4.033 5.386 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.073 2.790 7.276 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.145 5.287 7.492 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.278 6.245 6.268 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.388 5.534 7.635 1.00 0.00 H new ATOM 298 N VAL A 20 7.658 5.320 3.344 1.00 0.00 N ATOM 299 CA VAL A 20 7.556 6.194 2.184 1.00 0.00 C ATOM 300 C VAL A 20 7.655 7.672 2.599 1.00 0.00 C ATOM 301 O VAL A 20 6.696 8.440 2.534 1.00 0.00 O ATOM 302 CB VAL A 20 6.303 5.823 1.361 1.00 0.00 C ATOM 303 CG1 VAL A 20 5.021 5.739 2.195 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.086 6.742 0.158 1.00 0.00 C ATOM 0 H VAL A 20 6.776 4.854 3.558 1.00 0.00 H new ATOM 0 HA VAL A 20 8.404 6.043 1.516 1.00 0.00 H new ATOM 0 HB VAL A 20 6.517 4.820 0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.184 5.474 1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.138 4.979 2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.827 6.704 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.191 6.431 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.964 7.769 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.948 6.682 -0.506 1.00 0.00 H new ATOM 426 N THR A 28 10.486 -5.192 4.964 1.00 0.00 N ATOM 427 CA THR A 28 9.267 -5.973 5.037 1.00 0.00 C ATOM 428 C THR A 28 8.127 -5.285 4.284 1.00 0.00 C ATOM 429 O THR A 28 7.027 -5.813 4.315 1.00 0.00 O ATOM 430 CB THR A 28 8.898 -6.228 6.513 1.00 0.00 C ATOM 431 OG1 THR A 28 10.068 -6.363 7.297 1.00 0.00 O ATOM 432 CG2 THR A 28 8.088 -7.516 6.701 1.00 0.00 C ATOM 0 HA THR A 28 9.435 -6.935 4.553 1.00 0.00 H new ATOM 0 HB THR A 28 8.300 -5.372 6.824 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.801 -5.863 6.880 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.855 -7.648 7.757 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.162 -7.450 6.130 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.671 -8.367 6.349 1.00 0.00 H new ATOM 440 N GLY A 29 8.346 -4.157 3.597 1.00 0.00 N ATOM 441 CA GLY A 29 7.325 -3.471 2.830 1.00 0.00 C ATOM 442 C GLY A 29 8.049 -2.638 1.776 1.00 0.00 C ATOM 443 O GLY A 29 8.920 -1.846 2.114 1.00 0.00 O ATOM 0 H GLY A 29 9.255 -3.696 3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.649 -4.186 2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.719 -2.835 3.475 1.00 0.00 H new ATOM 447 N PRO A 30 7.776 -2.828 0.485 1.00 0.00 N ATOM 448 CA PRO A 30 8.423 -2.041 -0.551 1.00 0.00 C ATOM 449 C PRO A 30 8.063 -0.564 -0.367 1.00 0.00 C ATOM 450 O PRO A 30 6.885 -0.219 -0.309 1.00 0.00 O ATOM 451 CB PRO A 30 7.902 -2.612 -1.870 1.00 0.00 C ATOM 452 CG PRO A 30 6.538 -3.173 -1.470 1.00 0.00 C ATOM 453 CD PRO A 30 6.758 -3.694 -0.066 1.00 0.00 C ATOM 0 HA PRO A 30 9.511 -2.094 -0.519 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.816 -1.844 -2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.560 -3.386 -2.265 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.766 -2.403 -1.495 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.218 -3.967 -2.145 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.841 -3.652 0.521 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.084 -4.734 -0.075 1.00 0.00 H new ATOM 461 N ASN A 31 9.065 0.312 -0.230 1.00 0.00 N ATOM 462 CA ASN A 31 8.826 1.756 -0.212 1.00 0.00 C ATOM 463 C ASN A 31 7.920 2.178 -1.384 1.00 0.00 C ATOM 464 O ASN A 31 8.265 1.990 -2.545 1.00 0.00 O ATOM 465 CB ASN A 31 10.145 2.544 -0.182 1.00 0.00 C ATOM 466 CG ASN A 31 10.849 2.616 -1.537 1.00 0.00 C ATOM 467 OD1 ASN A 31 11.308 1.609 -2.059 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.974 3.812 -2.109 1.00 0.00 N ATOM 0 H ASN A 31 10.045 0.046 -0.130 1.00 0.00 H new ATOM 0 HA ASN A 31 8.296 2.000 0.709 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.945 3.557 0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.817 2.083 0.542 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.461 3.902 -3.001 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.583 4.638 -1.655 1.00 0.00 H new ATOM 475 N LEU A 32 6.733 2.704 -1.068 1.00 0.00 N ATOM 476 CA LEU A 32 5.626 2.803 -2.012 1.00 0.00 C ATOM 477 C LEU A 32 5.931 3.772 -3.165 1.00 0.00 C ATOM 478 O LEU A 32 5.938 3.381 -4.328 1.00 0.00 O ATOM 479 CB LEU A 32 4.355 3.199 -1.240 1.00 0.00 C ATOM 480 CG LEU A 32 3.918 2.196 -0.158 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.680 2.727 0.571 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.552 0.833 -0.759 1.00 0.00 C ATOM 0 H LEU A 32 6.516 3.074 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 32 5.470 1.833 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.519 4.169 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.539 3.323 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 32 4.759 2.075 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.374 2.013 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.916 3.683 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.868 2.863 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.249 0.154 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.730 0.955 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.417 0.420 -1.278 1.00 0.00 H new ATOM 494 N HIS A 33 6.168 5.042 -2.826 1.00 0.00 N ATOM 495 CA HIS A 33 6.707 6.100 -3.680 1.00 0.00 C ATOM 496 C HIS A 33 6.295 6.025 -5.168 1.00 0.00 C ATOM 497 O HIS A 33 7.147 5.913 -6.052 1.00 0.00 O ATOM 498 CB HIS A 33 8.230 6.131 -3.472 1.00 0.00 C ATOM 499 CG HIS A 33 8.902 7.377 -3.990 1.00 0.00 C ATOM 500 ND1 HIS A 33 9.024 7.727 -5.314 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.525 8.344 -3.246 1.00 0.00 C ATOM 502 CE1 HIS A 33 9.705 8.884 -5.368 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.037 9.296 -4.133 1.00 0.00 N ATOM 0 H HIS A 33 5.975 5.380 -1.883 1.00 0.00 H new ATOM 0 HA HIS A 33 6.260 7.046 -3.374 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.441 6.034 -2.407 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.670 5.264 -3.964 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.663 7.203 -6.111 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.606 8.367 -2.169 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.951 9.410 -6.278 1.00 0.00 H new ATOM 511 N GLY A 34 4.996 6.173 -5.456 1.00 0.00 N ATOM 512 CA GLY A 34 4.463 6.181 -6.818 1.00 0.00 C ATOM 513 C GLY A 34 3.635 4.927 -7.088 1.00 0.00 C ATOM 514 O GLY A 34 4.152 3.964 -7.647 1.00 0.00 O ATOM 0 H GLY A 34 4.280 6.292 -4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.846 7.067 -6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.283 6.241 -7.533 1.00 0.00 H new ATOM 518 N LEU A 35 2.349 4.952 -6.721 1.00 0.00 N ATOM 519 CA LEU A 35 1.443 3.818 -6.879 1.00 0.00 C ATOM 520 C LEU A 35 0.434 4.104 -7.990 1.00 0.00 C ATOM 521 O LEU A 35 0.395 3.416 -9.006 1.00 0.00 O ATOM 522 CB LEU A 35 0.693 3.498 -5.573 1.00 0.00 C ATOM 523 CG LEU A 35 1.554 3.281 -4.324 1.00 0.00 C ATOM 524 CD1 LEU A 35 2.694 2.289 -4.600 1.00 0.00 C ATOM 525 CD2 LEU A 35 2.032 4.616 -3.733 1.00 0.00 C ATOM 0 H LEU A 35 1.907 5.770 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 35 2.048 2.950 -7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.002 4.313 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.095 2.601 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 35 0.934 2.821 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.287 2.156 -3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.276 1.330 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.329 2.677 -5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.640 4.425 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.627 5.150 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.169 5.221 -3.456 1.00 0.00 H new ATOM 537 N PHE A 36 -0.405 5.119 -7.786 1.00 0.00 N ATOM 538 CA PHE A 36 -1.577 5.357 -8.611 1.00 0.00 C ATOM 539 C PHE A 36 -1.117 5.708 -10.017 1.00 0.00 C ATOM 540 O PHE A 36 -0.312 6.623 -10.190 1.00 0.00 O ATOM 541 CB PHE A 36 -2.456 6.469 -8.025 1.00 0.00 C ATOM 542 CG PHE A 36 -3.099 6.152 -6.682 1.00 0.00 C ATOM 543 CD1 PHE A 36 -2.320 6.083 -5.512 1.00 0.00 C ATOM 544 CD2 PHE A 36 -4.472 5.855 -6.607 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.887 5.656 -4.303 1.00 0.00 C ATOM 546 CE2 PHE A 36 -5.046 5.487 -5.378 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.265 5.422 -4.216 1.00 0.00 C ATOM 0 H PHE A 36 -0.285 5.801 -7.037 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.188 4.455 -8.640 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.850 7.368 -7.916 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.245 6.701 -8.741 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.277 6.361 -5.546 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.085 5.910 -7.494 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.260 5.507 -3.437 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.099 5.252 -5.329 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.721 5.194 -3.264 1.00 0.00 H new ATOM 557 N GLY A 37 -1.589 4.958 -11.014 1.00 0.00 N ATOM 558 CA GLY A 37 -1.148 5.174 -12.388 1.00 0.00 C ATOM 559 C GLY A 37 0.135 4.402 -12.718 1.00 0.00 C ATOM 560 O GLY A 37 0.426 4.171 -13.892 1.00 0.00 O ATOM 0 H GLY A 37 -2.268 4.206 -10.896 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.939 4.869 -13.073 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.980 6.239 -12.550 1.00 0.00 H new ATOM 564 N ARG A 38 0.920 4.007 -11.712 1.00 0.00 N ATOM 565 CA ARG A 38 2.177 3.305 -11.898 1.00 0.00 C ATOM 566 C ARG A 38 1.863 1.808 -11.919 1.00 0.00 C ATOM 567 O ARG A 38 1.400 1.251 -10.925 1.00 0.00 O ATOM 568 CB ARG A 38 3.149 3.713 -10.774 1.00 0.00 C ATOM 569 CG ARG A 38 4.622 3.741 -11.221 1.00 0.00 C ATOM 570 CD ARG A 38 5.328 5.029 -10.768 1.00 0.00 C ATOM 571 NE ARG A 38 4.729 6.222 -11.395 1.00 0.00 N ATOM 572 CZ ARG A 38 5.066 7.496 -11.129 1.00 0.00 C ATOM 573 NH1 ARG A 38 5.978 7.766 -10.188 1.00 0.00 N ATOM 574 NH2 ARG A 38 4.492 8.493 -11.813 1.00 0.00 N ATOM 0 H ARG A 38 0.689 4.172 -10.732 1.00 0.00 H new ATOM 0 HA ARG A 38 2.667 3.561 -12.837 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.871 4.699 -10.403 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.043 3.018 -9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.144 2.876 -10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.675 3.659 -12.307 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.266 5.117 -9.683 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.386 4.975 -11.024 1.00 0.00 H new ATOM 0 HE ARG A 38 3.997 6.067 -12.089 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.419 7.005 -9.671 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.233 8.733 -9.987 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.801 8.285 -12.534 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.746 9.461 -11.613 1.00 0.00 H new ATOM 588 N LYS A 39 2.048 1.155 -13.070 1.00 0.00 N ATOM 589 CA LYS A 39 1.728 -0.257 -13.194 1.00 0.00 C ATOM 590 C LYS A 39 2.622 -1.068 -12.254 1.00 0.00 C ATOM 591 O LYS A 39 3.840 -0.894 -12.269 1.00 0.00 O ATOM 592 CB LYS A 39 1.784 -0.745 -14.651 1.00 0.00 C ATOM 593 CG LYS A 39 3.100 -0.456 -15.387 1.00 0.00 C ATOM 594 CD LYS A 39 3.026 0.823 -16.235 1.00 0.00 C ATOM 595 CE LYS A 39 4.408 1.493 -16.286 1.00 0.00 C ATOM 596 NZ LYS A 39 4.395 2.733 -17.090 1.00 0.00 N ATOM 0 H LYS A 39 2.415 1.584 -13.920 1.00 0.00 H new ATOM 0 HA LYS A 39 0.693 -0.410 -12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.608 -1.821 -14.664 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.967 -0.281 -15.204 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.907 -0.361 -14.660 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.348 -1.301 -16.029 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.691 0.583 -17.244 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.294 1.510 -15.811 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.737 1.722 -15.272 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.133 0.796 -16.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.347 3.152 -17.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.106 2.512 -18.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.723 3.409 -16.675 1.00 0.00 H new ATOM 610 N THR A 40 2.024 -1.917 -11.418 1.00 0.00 N ATOM 611 CA THR A 40 2.788 -2.756 -10.509 1.00 0.00 C ATOM 612 C THR A 40 3.210 -4.044 -11.209 1.00 0.00 C ATOM 613 O THR A 40 3.242 -4.139 -12.435 1.00 0.00 O ATOM 614 CB THR A 40 1.971 -2.989 -9.236 1.00 0.00 C ATOM 615 OG1 THR A 40 2.745 -3.496 -8.165 1.00 0.00 O ATOM 616 CG2 THR A 40 0.768 -3.910 -9.438 1.00 0.00 C ATOM 0 H THR A 40 1.013 -2.038 -11.355 1.00 0.00 H new ATOM 0 HA THR A 40 3.712 -2.261 -10.211 1.00 0.00 H new ATOM 0 HB THR A 40 1.609 -1.993 -8.981 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.300 -4.281 -7.782 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.238 -4.028 -8.493 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.097 -3.475 -10.179 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.110 -4.884 -9.786 1.00 0.00 H new ATOM 624 N GLY A 41 3.508 -5.048 -10.395 1.00 0.00 N ATOM 625 CA GLY A 41 3.901 -6.369 -10.832 1.00 0.00 C ATOM 626 C GLY A 41 5.309 -6.367 -11.435 1.00 0.00 C ATOM 627 O GLY A 41 5.652 -7.265 -12.200 1.00 0.00 O ATOM 0 H GLY A 41 3.480 -4.956 -9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.867 -7.057 -9.988 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.188 -6.736 -11.571 1.00 0.00 H new ATOM 631 N GLN A 42 6.133 -5.368 -11.085 1.00 0.00 N ATOM 632 CA GLN A 42 7.483 -5.209 -11.611 1.00 0.00 C ATOM 633 C GLN A 42 8.224 -4.127 -10.812 1.00 0.00 C ATOM 634 O GLN A 42 8.059 -2.942 -11.090 1.00 0.00 O ATOM 635 CB GLN A 42 7.432 -4.844 -13.108 1.00 0.00 C ATOM 636 CG GLN A 42 8.778 -5.137 -13.782 1.00 0.00 C ATOM 637 CD GLN A 42 8.882 -4.457 -15.141 1.00 0.00 C ATOM 638 OE1 GLN A 42 8.516 -5.024 -16.164 1.00 0.00 O ATOM 639 NE2 GLN A 42 9.395 -3.229 -15.167 1.00 0.00 N ATOM 0 H GLN A 42 5.870 -4.642 -10.419 1.00 0.00 H new ATOM 0 HA GLN A 42 8.022 -6.151 -11.509 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.642 -5.412 -13.599 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.184 -3.789 -13.222 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.590 -4.795 -13.140 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.899 -6.214 -13.903 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.691 -2.782 -14.300 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.492 -2.735 -16.054 1.00 0.00 H new ATOM 648 N ALA A 43 9.053 -4.517 -9.838 1.00 0.00 N ATOM 649 CA ALA A 43 9.975 -3.611 -9.148 1.00 0.00 C ATOM 650 C ALA A 43 11.421 -3.935 -9.535 1.00 0.00 C ATOM 651 O ALA A 43 11.743 -5.108 -9.726 1.00 0.00 O ATOM 652 CB ALA A 43 9.827 -3.734 -7.628 1.00 0.00 C ATOM 0 H ALA A 43 9.103 -5.479 -9.504 1.00 0.00 H new ATOM 0 HA ALA A 43 9.731 -2.592 -9.449 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.522 -3.052 -7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.807 -3.481 -7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.047 -4.757 -7.323 1.00 0.00 H new ATOM 658 N PRO A 44 12.317 -2.937 -9.610 1.00 0.00 N ATOM 659 CA PRO A 44 13.734 -3.163 -9.850 1.00 0.00 C ATOM 660 C PRO A 44 14.399 -3.724 -8.585 1.00 0.00 C ATOM 661 O PRO A 44 15.190 -3.043 -7.936 1.00 0.00 O ATOM 662 CB PRO A 44 14.282 -1.791 -10.257 1.00 0.00 C ATOM 663 CG PRO A 44 13.401 -0.823 -9.467 1.00 0.00 C ATOM 664 CD PRO A 44 12.037 -1.515 -9.484 1.00 0.00 C ATOM 0 HA PRO A 44 13.931 -3.900 -10.628 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.335 -1.683 -9.997 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.201 -1.626 -11.331 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.769 -0.679 -8.451 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.361 0.161 -9.934 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.480 -1.305 -8.571 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.429 -1.161 -10.316 1.00 0.00 H new ATOM 672 N GLY A 45 14.077 -4.972 -8.230 1.00 0.00 N ATOM 673 CA GLY A 45 14.683 -5.681 -7.113 1.00 0.00 C ATOM 674 C GLY A 45 13.627 -6.483 -6.360 1.00 0.00 C ATOM 675 O GLY A 45 13.221 -7.549 -6.818 1.00 0.00 O ATOM 0 H GLY A 45 13.374 -5.522 -8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.464 -6.348 -7.478 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.160 -4.970 -6.438 1.00 0.00 H new ATOM 679 N PHE A 46 13.170 -5.979 -5.206 1.00 0.00 N ATOM 680 CA PHE A 46 12.190 -6.689 -4.390 1.00 0.00 C ATOM 681 C PHE A 46 10.814 -6.531 -5.025 1.00 0.00 C ATOM 682 O PHE A 46 9.959 -5.801 -4.529 1.00 0.00 O ATOM 683 CB PHE A 46 12.201 -6.215 -2.926 1.00 0.00 C ATOM 684 CG PHE A 46 11.130 -6.830 -2.024 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.674 -8.153 -2.224 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.465 -6.012 -1.088 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.538 -8.621 -1.539 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.364 -6.510 -0.370 1.00 0.00 C ATOM 689 CZ PHE A 46 8.900 -7.810 -0.595 1.00 0.00 C ATOM 0 H PHE A 46 13.466 -5.082 -4.821 1.00 0.00 H new ATOM 0 HA PHE A 46 12.454 -7.746 -4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.180 -6.434 -2.499 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.083 -5.131 -2.913 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.199 -8.806 -2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.803 -5.000 -0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.157 -9.611 -1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.873 -5.884 0.361 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.052 -8.186 -0.042 1.00 0.00 H new ATOM 699 N THR A 47 10.581 -7.250 -6.118 1.00 0.00 N ATOM 700 CA THR A 47 9.301 -7.235 -6.804 1.00 0.00 C ATOM 701 C THR A 47 8.270 -8.114 -6.091 1.00 0.00 C ATOM 702 O THR A 47 7.479 -8.780 -6.747 1.00 0.00 O ATOM 703 CB THR A 47 9.518 -7.518 -8.297 1.00 0.00 C ATOM 704 OG1 THR A 47 8.387 -7.124 -9.052 1.00 0.00 O ATOM 705 CG2 THR A 47 9.931 -8.960 -8.590 1.00 0.00 C ATOM 0 H THR A 47 11.276 -7.858 -6.550 1.00 0.00 H new ATOM 0 HA THR A 47 8.851 -6.243 -6.759 1.00 0.00 H new ATOM 0 HB THR A 47 10.366 -6.909 -8.610 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.576 -7.489 -8.641 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.067 -9.088 -9.664 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.867 -9.182 -8.077 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.154 -9.639 -8.239 1.00 0.00 H new ATOM 713 N TYR A 48 8.213 -8.039 -4.758 1.00 0.00 N ATOM 714 CA TYR A 48 7.171 -8.648 -3.943 1.00 0.00 C ATOM 715 C TYR A 48 7.161 -10.186 -4.048 1.00 0.00 C ATOM 716 O TYR A 48 8.141 -10.780 -4.497 1.00 0.00 O ATOM 717 CB TYR A 48 5.805 -8.011 -4.220 1.00 0.00 C ATOM 718 CG TYR A 48 5.718 -6.763 -5.079 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.497 -5.617 -4.830 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.838 -6.775 -6.171 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.529 -4.577 -5.778 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.802 -5.701 -7.062 1.00 0.00 C ATOM 723 CZ TYR A 48 5.675 -4.620 -6.896 1.00 0.00 C ATOM 724 OH TYR A 48 5.807 -3.726 -7.918 1.00 0.00 O ATOM 0 H TYR A 48 8.911 -7.539 -4.207 1.00 0.00 H new ATOM 0 HA TYR A 48 7.406 -8.437 -2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.179 -8.772 -4.687 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.354 -7.775 -3.256 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.067 -5.536 -3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.184 -7.621 -6.324 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.208 -3.747 -5.648 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.099 -5.704 -7.882 1.00 0.00 H new ATOM 0 HH TYR A 48 4.919 -3.451 -8.229 1.00 0.00 H new ATOM 734 N THR A 49 6.078 -10.845 -3.610 1.00 0.00 N ATOM 735 CA THR A 49 5.847 -12.257 -3.927 1.00 0.00 C ATOM 736 C THR A 49 5.542 -12.412 -5.415 1.00 0.00 C ATOM 737 O THR A 49 5.264 -11.431 -6.088 1.00 0.00 O ATOM 738 CB THR A 49 4.661 -12.815 -3.124 1.00 0.00 C ATOM 739 OG1 THR A 49 3.470 -12.109 -3.429 1.00 0.00 O ATOM 740 CG2 THR A 49 4.947 -12.742 -1.629 1.00 0.00 C ATOM 0 H THR A 49 5.350 -10.420 -3.035 1.00 0.00 H new ATOM 0 HA THR A 49 6.749 -12.810 -3.666 1.00 0.00 H new ATOM 0 HB THR A 49 4.524 -13.860 -3.404 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.952 -11.972 -2.609 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.097 -13.141 -1.076 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.837 -13.328 -1.400 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.112 -11.704 -1.340 1.00 0.00 H new ATOM 748 N ASP A 50 5.489 -13.647 -5.911 1.00 0.00 N ATOM 749 CA ASP A 50 4.792 -14.010 -7.137 1.00 0.00 C ATOM 750 C ASP A 50 3.335 -13.567 -7.067 1.00 0.00 C ATOM 751 O ASP A 50 2.817 -13.066 -8.052 1.00 0.00 O ATOM 752 CB ASP A 50 4.874 -15.533 -7.311 1.00 0.00 C ATOM 753 CG ASP A 50 4.166 -16.283 -6.186 1.00 0.00 C ATOM 754 OD1 ASP A 50 4.280 -15.798 -5.035 1.00 0.00 O ATOM 755 OD2 ASP A 50 3.502 -17.290 -6.501 1.00 0.00 O ATOM 0 H ASP A 50 5.942 -14.441 -5.458 1.00 0.00 H new ATOM 0 HA ASP A 50 5.258 -13.513 -7.988 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.430 -15.812 -8.266 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.920 -15.837 -7.345 1.00 0.00 H new ATOM 760 N ALA A 51 2.667 -13.739 -5.932 1.00 0.00 N ATOM 761 CA ALA A 51 1.244 -13.453 -5.816 1.00 0.00 C ATOM 762 C ALA A 51 0.941 -11.994 -6.143 1.00 0.00 C ATOM 763 O ALA A 51 0.059 -11.705 -6.953 1.00 0.00 O ATOM 764 CB ALA A 51 0.752 -13.873 -4.426 1.00 0.00 C ATOM 0 H ALA A 51 3.095 -14.079 -5.071 1.00 0.00 H new ATOM 0 HA ALA A 51 0.693 -14.038 -6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.313 -13.660 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.921 -14.941 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.298 -13.317 -3.664 1.00 0.00 H new ATOM 770 N ASN A 52 1.690 -11.069 -5.545 1.00 0.00 N ATOM 771 CA ASN A 52 1.517 -9.650 -5.827 1.00 0.00 C ATOM 772 C ASN A 52 2.222 -9.270 -7.136 1.00 0.00 C ATOM 773 O ASN A 52 1.718 -8.462 -7.912 1.00 0.00 O ATOM 774 CB ASN A 52 1.977 -8.837 -4.616 1.00 0.00 C ATOM 775 CG ASN A 52 1.411 -7.424 -4.556 1.00 0.00 C ATOM 776 OD1 ASN A 52 0.958 -6.873 -5.555 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.406 -6.833 -3.366 1.00 0.00 N ATOM 0 H ASN A 52 2.420 -11.279 -4.864 1.00 0.00 H new ATOM 0 HA ASN A 52 0.464 -9.417 -5.986 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.693 -9.368 -3.708 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.065 -8.779 -4.624 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.018 -5.895 -3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.790 -7.317 -2.554 1.00 0.00 H new ATOM 784 N LYS A 53 3.369 -9.886 -7.448 1.00 0.00 N ATOM 785 CA LYS A 53 4.084 -9.609 -8.696 1.00 0.00 C ATOM 786 C LYS A 53 3.207 -9.948 -9.896 1.00 0.00 C ATOM 787 O LYS A 53 3.200 -9.254 -10.908 1.00 0.00 O ATOM 788 CB LYS A 53 5.399 -10.377 -8.777 1.00 0.00 C ATOM 789 CG LYS A 53 6.260 -9.979 -9.988 1.00 0.00 C ATOM 790 CD LYS A 53 6.309 -11.037 -11.099 1.00 0.00 C ATOM 791 CE LYS A 53 6.774 -12.389 -10.536 1.00 0.00 C ATOM 792 NZ LYS A 53 7.412 -13.247 -11.554 1.00 0.00 N ATOM 0 H LYS A 53 3.820 -10.580 -6.852 1.00 0.00 H new ATOM 0 HA LYS A 53 4.318 -8.544 -8.710 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.968 -10.207 -7.863 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.186 -11.445 -8.826 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.874 -9.049 -10.404 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.276 -9.778 -9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.323 -11.144 -11.550 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.987 -10.713 -11.888 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.478 -12.215 -9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.918 -12.913 -10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.705 -14.144 -11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.735 -13.439 -12.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.246 -12.763 -11.943 1.00 0.00 H new ATOM 806 N ASN A 54 2.452 -11.033 -9.769 1.00 0.00 N ATOM 807 CA ASN A 54 1.537 -11.510 -10.781 1.00 0.00 C ATOM 808 C ASN A 54 0.347 -10.549 -10.928 1.00 0.00 C ATOM 809 O ASN A 54 -0.468 -10.703 -11.834 1.00 0.00 O ATOM 810 CB ASN A 54 1.047 -12.917 -10.412 1.00 0.00 C ATOM 811 CG ASN A 54 0.151 -13.525 -11.487 1.00 0.00 C ATOM 812 OD1 ASN A 54 0.484 -13.503 -12.668 1.00 0.00 O ATOM 813 ND2 ASN A 54 -0.981 -14.101 -11.090 1.00 0.00 N ATOM 0 H ASN A 54 2.465 -11.617 -8.933 1.00 0.00 H new ATOM 0 HA ASN A 54 2.058 -11.554 -11.737 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.907 -13.567 -10.250 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.500 -12.872 -9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.597 -14.539 -11.774 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.232 -14.104 -10.101 1.00 0.00 H new ATOM 820 N LYS A 55 0.178 -9.593 -10.001 1.00 0.00 N ATOM 821 CA LYS A 55 -1.076 -8.866 -9.888 1.00 0.00 C ATOM 822 C LYS A 55 -1.348 -7.994 -11.113 1.00 0.00 C ATOM 823 O LYS A 55 -2.495 -7.957 -11.565 1.00 0.00 O ATOM 824 CB LYS A 55 -1.152 -8.053 -8.591 1.00 0.00 C ATOM 825 CG LYS A 55 -2.583 -7.610 -8.251 1.00 0.00 C ATOM 826 CD LYS A 55 -3.483 -8.792 -7.847 1.00 0.00 C ATOM 827 CE LYS A 55 -4.699 -8.989 -8.768 1.00 0.00 C ATOM 828 NZ LYS A 55 -4.345 -9.363 -10.156 1.00 0.00 N ATOM 0 H LYS A 55 0.893 -9.314 -9.329 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.867 -9.615 -9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.756 -8.650 -7.769 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.515 -7.173 -8.681 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.552 -6.885 -7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.018 -7.104 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.888 -9.705 -7.845 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.833 -8.638 -6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.341 -9.762 -8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.281 -8.068 -8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.213 -9.462 -10.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.743 -8.624 -10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.830 -10.267 -10.151 1.00 0.00 H new ATOM 842 N GLY A 56 -0.319 -7.293 -11.603 1.00 0.00 N ATOM 843 CA GLY A 56 -0.335 -6.524 -12.843 1.00 0.00 C ATOM 844 C GLY A 56 -1.493 -5.526 -12.942 1.00 0.00 C ATOM 845 O GLY A 56 -2.217 -5.506 -13.933 1.00 0.00 O ATOM 0 H GLY A 56 0.581 -7.247 -11.124 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.607 -5.983 -12.935 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.390 -7.213 -13.685 1.00 0.00 H new ATOM 849 N ILE A 57 -1.652 -4.679 -11.921 1.00 0.00 N ATOM 850 CA ILE A 57 -2.638 -3.608 -11.859 1.00 0.00 C ATOM 851 C ILE A 57 -1.943 -2.245 -11.892 1.00 0.00 C ATOM 852 O ILE A 57 -0.745 -2.169 -12.135 1.00 0.00 O ATOM 853 CB ILE A 57 -3.488 -3.774 -10.592 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.630 -3.901 -9.327 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.448 -4.956 -10.789 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.435 -3.581 -8.072 1.00 0.00 C ATOM 0 H ILE A 57 -1.072 -4.727 -11.084 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.295 -3.662 -12.727 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.079 -2.872 -10.436 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.231 -4.913 -9.257 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.777 -3.226 -9.395 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.057 -5.083 -9.894 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.095 -4.760 -11.644 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.874 -5.865 -10.969 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.796 -3.681 -7.195 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.812 -2.560 -8.132 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.273 -4.273 -7.991 1.00 0.00 H new ATOM 868 N THR A 58 -2.698 -1.169 -11.650 1.00 0.00 N ATOM 869 CA THR A 58 -2.260 0.217 -11.746 1.00 0.00 C ATOM 870 C THR A 58 -2.411 0.952 -10.406 1.00 0.00 C ATOM 871 O THR A 58 -2.453 2.183 -10.381 1.00 0.00 O ATOM 872 CB THR A 58 -3.115 0.865 -12.847 1.00 0.00 C ATOM 873 OG1 THR A 58 -3.487 -0.100 -13.816 1.00 0.00 O ATOM 874 CG2 THR A 58 -2.381 2.016 -13.519 1.00 0.00 C ATOM 0 H THR A 58 -3.675 -1.250 -11.369 1.00 0.00 H new ATOM 0 HA THR A 58 -1.200 0.274 -11.993 1.00 0.00 H new ATOM 0 HB THR A 58 -4.012 1.265 -12.374 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.032 0.326 -14.510 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.015 2.450 -14.292 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.141 2.777 -12.777 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.460 1.646 -13.971 1.00 0.00 H new ATOM 882 N TRP A 59 -2.551 0.181 -9.318 1.00 0.00 N ATOM 883 CA TRP A 59 -2.803 0.646 -7.959 1.00 0.00 C ATOM 884 C TRP A 59 -3.708 1.875 -7.915 1.00 0.00 C ATOM 885 O TRP A 59 -3.392 2.894 -7.310 1.00 0.00 O ATOM 886 CB TRP A 59 -1.477 0.805 -7.215 1.00 0.00 C ATOM 887 CG TRP A 59 -0.864 -0.488 -6.779 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.391 -0.882 -7.071 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.445 -1.565 -5.978 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.589 -2.172 -6.623 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.505 -2.636 -5.920 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.674 -1.754 -5.303 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.776 -3.834 -5.240 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.926 -2.925 -4.566 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.982 -3.964 -4.532 1.00 0.00 C ATOM 0 H TRP A 59 -2.487 -0.836 -9.372 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.377 -0.111 -7.425 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.772 1.330 -7.859 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.637 1.433 -6.339 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.130 -0.280 -7.579 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.437 -2.714 -6.790 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.432 -0.986 -5.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.065 -4.647 -5.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.853 -3.026 -4.022 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.183 -4.860 -3.963 1.00 0.00 H new ATOM 906 N LYS A 60 -4.868 1.738 -8.553 1.00 0.00 N ATOM 907 CA LYS A 60 -5.879 2.780 -8.585 1.00 0.00 C ATOM 908 C LYS A 60 -6.662 2.786 -7.270 1.00 0.00 C ATOM 909 O LYS A 60 -6.585 1.832 -6.488 1.00 0.00 O ATOM 910 CB LYS A 60 -6.831 2.541 -9.764 1.00 0.00 C ATOM 911 CG LYS A 60 -7.385 1.104 -9.787 1.00 0.00 C ATOM 912 CD LYS A 60 -6.902 0.321 -11.013 1.00 0.00 C ATOM 913 CE LYS A 60 -7.718 0.752 -12.242 1.00 0.00 C ATOM 914 NZ LYS A 60 -7.129 0.286 -13.512 1.00 0.00 N ATOM 0 H LYS A 60 -5.130 0.895 -9.064 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.394 3.748 -8.710 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.660 3.247 -9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.306 2.740 -10.698 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.078 0.583 -8.880 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.475 1.136 -9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.841 0.506 -11.183 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.016 -0.750 -10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.733 0.363 -12.153 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.793 1.839 -12.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.720 0.605 -14.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.171 0.677 -13.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.081 -0.753 -13.512 1.00 0.00 H new ATOM 928 N GLU A 61 -7.503 3.811 -7.089 1.00 0.00 N ATOM 929 CA GLU A 61 -8.399 3.977 -5.937 1.00 0.00 C ATOM 930 C GLU A 61 -9.610 3.031 -5.984 1.00 0.00 C ATOM 931 O GLU A 61 -10.737 3.423 -5.695 1.00 0.00 O ATOM 932 CB GLU A 61 -8.824 5.450 -5.790 1.00 0.00 C ATOM 933 CG GLU A 61 -9.411 6.073 -7.068 1.00 0.00 C ATOM 934 CD GLU A 61 -9.950 7.479 -6.823 1.00 0.00 C ATOM 935 OE1 GLU A 61 -9.763 7.979 -5.691 1.00 0.00 O ATOM 936 OE2 GLU A 61 -10.515 8.053 -7.772 1.00 0.00 O ATOM 0 H GLU A 61 -7.582 4.573 -7.762 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.837 3.695 -5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.563 5.524 -4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.959 6.036 -5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.642 6.109 -7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.213 5.438 -7.446 1.00 0.00 H new ATOM 943 N GLU A 62 -9.350 1.767 -6.308 1.00 0.00 N ATOM 944 CA GLU A 62 -10.320 0.692 -6.377 1.00 0.00 C ATOM 945 C GLU A 62 -9.610 -0.529 -5.792 1.00 0.00 C ATOM 946 O GLU A 62 -9.959 -1.054 -4.735 1.00 0.00 O ATOM 947 CB GLU A 62 -10.753 0.461 -7.842 1.00 0.00 C ATOM 948 CG GLU A 62 -11.034 1.747 -8.637 1.00 0.00 C ATOM 949 CD GLU A 62 -11.416 1.426 -10.079 1.00 0.00 C ATOM 950 OE1 GLU A 62 -12.596 1.083 -10.292 1.00 0.00 O ATOM 951 OE2 GLU A 62 -10.507 1.490 -10.937 1.00 0.00 O ATOM 0 H GLU A 62 -8.407 1.455 -6.540 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.232 0.913 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.973 -0.103 -8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.650 -0.158 -7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.839 2.305 -8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.151 2.387 -8.625 1.00 0.00 H new ATOM 958 N THR A 63 -8.530 -0.926 -6.468 1.00 0.00 N ATOM 959 CA THR A 63 -7.752 -2.092 -6.122 1.00 0.00 C ATOM 960 C THR A 63 -6.991 -1.862 -4.825 1.00 0.00 C ATOM 961 O THR A 63 -6.888 -2.777 -4.013 1.00 0.00 O ATOM 962 CB THR A 63 -6.824 -2.438 -7.289 1.00 0.00 C ATOM 963 OG1 THR A 63 -6.076 -1.301 -7.684 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.641 -2.917 -8.494 1.00 0.00 C ATOM 0 H THR A 63 -8.174 -0.429 -7.285 1.00 0.00 H new ATOM 0 HA THR A 63 -8.411 -2.943 -5.948 1.00 0.00 H new ATOM 0 HB THR A 63 -6.150 -3.227 -6.956 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.739 -1.431 -8.595 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.968 -3.160 -9.317 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.211 -3.804 -8.218 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.326 -2.128 -8.806 1.00 0.00 H new ATOM 972 N LEU A 64 -6.472 -0.644 -4.606 1.00 0.00 N ATOM 973 CA LEU A 64 -5.891 -0.312 -3.324 1.00 0.00 C ATOM 974 C LEU A 64 -6.912 -0.524 -2.216 1.00 0.00 C ATOM 975 O LEU A 64 -6.563 -1.034 -1.160 1.00 0.00 O ATOM 976 CB LEU A 64 -5.400 1.143 -3.328 1.00 0.00 C ATOM 977 CG LEU A 64 -3.881 1.244 -3.129 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.240 1.883 -4.351 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.555 2.078 -1.897 1.00 0.00 C ATOM 0 H LEU A 64 -6.449 0.107 -5.296 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.039 -0.967 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.673 1.614 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.906 1.697 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.486 0.238 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.162 1.951 -4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.447 1.274 -5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.650 2.882 -4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.474 2.137 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.962 3.082 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.996 1.612 -1.015 1.00 0.00 H new ATOM 991 N MET A 65 -8.166 -0.125 -2.444 1.00 0.00 N ATOM 992 CA MET A 65 -9.172 -0.204 -1.416 1.00 0.00 C ATOM 993 C MET A 65 -9.477 -1.667 -1.090 1.00 0.00 C ATOM 994 O MET A 65 -9.456 -2.032 0.083 1.00 0.00 O ATOM 995 CB MET A 65 -10.397 0.623 -1.817 1.00 0.00 C ATOM 996 CG MET A 65 -11.224 0.893 -0.559 1.00 0.00 C ATOM 997 SD MET A 65 -12.506 2.168 -0.648 1.00 0.00 S ATOM 998 CE MET A 65 -11.492 3.623 -1.000 1.00 0.00 C ATOM 0 H MET A 65 -8.495 0.253 -3.333 1.00 0.00 H new ATOM 0 HA MET A 65 -8.806 0.236 -0.488 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.088 1.561 -2.277 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.993 0.087 -2.556 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.701 -0.042 -0.265 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.536 1.165 0.242 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.777 4.436 -0.332 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.441 3.379 -0.847 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.646 3.932 -2.034 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.722 -2.509 -2.103 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.973 -3.932 -1.861 1.00 0.00 C ATOM 1010 C GLU A 66 -8.785 -4.575 -1.125 1.00 0.00 C ATOM 1011 O GLU A 66 -8.954 -5.236 -0.098 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.300 -4.667 -3.172 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.851 -6.076 -2.879 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.137 -6.903 -4.129 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -11.098 -6.317 -5.232 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.330 -8.128 -3.956 1.00 0.00 O ATOM 0 H GLU A 66 -9.751 -2.233 -3.084 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.847 -4.022 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.032 -4.096 -3.743 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.403 -4.742 -3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.135 -6.613 -2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.770 -5.982 -2.300 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.572 -4.369 -1.645 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.351 -4.902 -1.057 1.00 0.00 C ATOM 1025 C TYR A 67 -6.259 -4.519 0.410 1.00 0.00 C ATOM 1026 O TYR A 67 -6.197 -5.387 1.272 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.143 -4.382 -1.841 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.793 -4.925 -1.404 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.597 -6.309 -1.242 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.698 -4.055 -1.259 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.323 -6.821 -0.955 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.432 -4.567 -0.938 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.242 -5.948 -0.780 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.023 -6.450 -0.448 1.00 0.00 O ATOM 0 H TYR A 67 -7.414 -3.823 -2.492 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.364 -5.990 -1.114 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.287 -4.621 -2.895 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.121 -3.295 -1.760 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.435 -6.983 -1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.832 -2.992 -1.395 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.176 -7.887 -0.869 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.598 -3.893 -0.812 1.00 0.00 H new ATOM 0 HH TYR A 67 0.288 -6.031 0.381 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.256 -3.224 0.703 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.103 -2.756 2.069 1.00 0.00 C ATOM 1046 C LEU A 68 -7.244 -3.202 2.977 1.00 0.00 C ATOM 1047 O LEU A 68 -7.010 -3.452 4.157 1.00 0.00 O ATOM 1048 CB LEU A 68 -5.911 -1.234 2.120 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.440 -0.794 2.100 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.656 -1.484 3.221 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -3.774 -1.049 0.748 1.00 0.00 C ATOM 0 H LEU A 68 -6.358 -2.482 0.011 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.198 -3.224 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.427 -0.783 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.384 -0.848 3.023 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.427 0.283 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.616 -1.160 3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.091 -1.219 4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.703 -2.565 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.735 -0.721 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.810 -2.114 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.302 -0.494 -0.028 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.461 -3.315 2.447 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.571 -3.873 3.198 1.00 0.00 C ATOM 1065 C GLU A 69 -9.226 -5.293 3.651 1.00 0.00 C ATOM 1066 O GLU A 69 -9.449 -5.651 4.809 1.00 0.00 O ATOM 1067 CB GLU A 69 -10.841 -3.856 2.336 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.092 -4.209 3.150 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.342 -4.148 2.287 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.610 -3.038 1.776 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.013 -5.193 2.169 1.00 0.00 O ATOM 0 H GLU A 69 -8.698 -3.025 1.498 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.756 -3.269 4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.964 -2.868 1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.731 -4.564 1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.986 -5.209 3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.191 -3.519 3.988 1.00 0.00 H new ATOM 1078 N ASN A 70 -8.732 -6.122 2.724 1.00 0.00 N ATOM 1079 CA ASN A 70 -8.654 -7.558 2.953 1.00 0.00 C ATOM 1080 C ASN A 70 -7.575 -8.205 2.084 1.00 0.00 C ATOM 1081 O ASN A 70 -7.892 -8.918 1.133 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.032 -8.145 2.630 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.315 -9.437 3.383 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.409 -10.112 3.868 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.592 -9.794 3.491 1.00 0.00 N ATOM 0 H ASN A 70 -8.383 -5.819 1.815 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.380 -7.757 3.989 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.800 -7.412 2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.100 -8.332 1.558 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.842 -10.649 3.987 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.321 -9.212 3.078 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.286 -8.001 2.374 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.232 -8.272 1.411 1.00 0.00 C ATOM 1094 C PRO A 71 -5.108 -9.764 1.117 1.00 0.00 C ATOM 1095 O PRO A 71 -4.952 -10.154 -0.036 1.00 0.00 O ATOM 1096 CB PRO A 71 -3.962 -7.644 1.987 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.249 -7.574 3.484 1.00 0.00 C ATOM 1098 CD PRO A 71 -5.765 -7.373 3.569 1.00 0.00 C ATOM 0 HA PRO A 71 -5.447 -7.834 0.436 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.082 -8.251 1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.776 -6.655 1.567 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.940 -8.488 3.992 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.711 -6.751 3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.176 -7.832 4.469 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.023 -6.315 3.605 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.248 -10.603 2.146 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.300 -12.050 2.002 1.00 0.00 C ATOM 1108 C LYS A 72 -6.484 -12.532 1.149 1.00 0.00 C ATOM 1109 O LYS A 72 -6.499 -13.687 0.726 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.315 -12.686 3.398 1.00 0.00 C ATOM 1111 CG LYS A 72 -6.471 -12.216 4.305 1.00 0.00 C ATOM 1112 CD LYS A 72 -7.360 -13.369 4.794 1.00 0.00 C ATOM 1113 CE LYS A 72 -8.263 -13.906 3.672 1.00 0.00 C ATOM 1114 NZ LYS A 72 -9.183 -14.960 4.145 1.00 0.00 N ATOM 0 H LYS A 72 -5.329 -10.287 3.113 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.410 -12.368 1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.373 -13.769 3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.369 -12.466 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.058 -11.692 5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.084 -11.498 3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.733 -14.176 5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.977 -13.026 5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.842 -13.084 3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.642 -14.303 2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.770 -15.290 3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.633 -15.757 4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.795 -14.576 4.893 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.512 -11.697 0.952 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.663 -12.022 0.122 1.00 0.00 C ATOM 1130 C LYS A 73 -8.400 -11.503 -1.288 1.00 0.00 C ATOM 1131 O LYS A 73 -8.586 -12.257 -2.242 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.938 -11.442 0.748 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.234 -12.231 0.502 1.00 0.00 C ATOM 1134 CD LYS A 73 -12.028 -11.852 -0.763 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.068 -12.933 -1.860 1.00 0.00 C ATOM 1136 NZ LYS A 73 -11.107 -12.686 -2.954 1.00 0.00 N ATOM 0 H LYS A 73 -7.562 -10.769 1.372 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.814 -13.100 0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.785 -11.361 1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.076 -10.429 0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.985 -13.291 0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.884 -12.101 1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.051 -11.614 -0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.597 -10.944 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.857 -13.904 -1.412 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.075 -12.985 -2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.274 -13.367 -3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.233 -11.719 -3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.137 -12.799 -2.596 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.986 -10.239 -1.432 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.585 -9.685 -2.720 1.00 0.00 C ATOM 1152 C TYR A 74 -6.592 -10.598 -3.452 1.00 0.00 C ATOM 1153 O TYR A 74 -6.777 -10.892 -4.631 1.00 0.00 O ATOM 1154 CB TYR A 74 -6.984 -8.292 -2.502 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.668 -7.540 -3.781 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.718 -7.212 -4.651 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.347 -7.204 -4.135 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.462 -6.579 -5.874 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.085 -6.560 -5.358 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.142 -6.283 -6.240 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.880 -5.856 -7.504 1.00 0.00 O ATOM 0 H TYR A 74 -7.921 -9.577 -0.659 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.468 -9.609 -3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.679 -7.698 -1.908 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.069 -8.391 -1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.735 -7.450 -4.375 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.533 -7.441 -3.466 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.278 -6.320 -6.532 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.075 -6.280 -5.618 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.656 -5.369 -7.852 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.540 -11.038 -2.754 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.500 -11.921 -3.272 1.00 0.00 C ATOM 1173 C ILE A 75 -4.451 -13.178 -2.393 1.00 0.00 C ATOM 1174 O ILE A 75 -4.301 -13.054 -1.177 1.00 0.00 O ATOM 1175 CB ILE A 75 -3.149 -11.177 -3.276 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.141 -10.106 -4.380 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.986 -12.144 -3.535 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.058 -9.044 -4.160 1.00 0.00 C ATOM 0 H ILE A 75 -5.388 -10.778 -1.780 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.717 -12.219 -4.298 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.024 -10.716 -2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.984 -10.586 -5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.117 -9.622 -4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.046 -11.592 -3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.963 -12.903 -2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.121 -12.625 -4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.096 -8.313 -4.967 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.229 -8.542 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.078 -9.521 -4.148 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.544 -14.390 -2.969 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.528 -15.633 -2.212 1.00 0.00 C ATOM 1192 C PRO A 76 -3.111 -15.954 -1.717 1.00 0.00 C ATOM 1193 O PRO A 76 -2.461 -16.863 -2.226 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.062 -16.693 -3.183 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.582 -16.182 -4.540 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.713 -14.665 -4.390 1.00 0.00 C ATOM 0 HA PRO A 76 -5.140 -15.583 -1.311 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.664 -17.683 -2.960 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.149 -16.769 -3.141 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.554 -16.482 -4.746 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.195 -16.563 -5.357 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.958 -14.147 -4.981 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.685 -14.320 -4.742 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.645 -15.222 -0.701 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.348 -15.449 -0.077 1.00 0.00 C ATOM 1206 C GLY A 77 -0.316 -14.467 -0.625 1.00 0.00 C ATOM 1207 O GLY A 77 0.276 -14.696 -1.672 1.00 0.00 O ATOM 0 H GLY A 77 -3.166 -14.449 -0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.432 -15.333 1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.021 -16.472 -0.264 1.00 0.00 H new ATOM 1211 N THR A 78 -0.117 -13.365 0.096 1.00 0.00 N ATOM 1212 CA THR A 78 0.774 -12.260 -0.212 1.00 0.00 C ATOM 1213 C THR A 78 1.681 -12.093 1.018 1.00 0.00 C ATOM 1214 O THR A 78 1.300 -12.536 2.102 1.00 0.00 O ATOM 1215 CB THR A 78 -0.140 -11.055 -0.508 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.414 -10.124 -1.410 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.729 -10.401 0.746 1.00 0.00 C ATOM 0 H THR A 78 -0.613 -13.215 0.974 1.00 0.00 H new ATOM 0 HA THR A 78 1.424 -12.397 -1.076 1.00 0.00 H new ATOM 0 HB THR A 78 -0.992 -11.487 -1.033 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.219 -9.390 -1.552 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.360 -9.561 0.456 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.326 -11.132 1.292 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.079 -10.044 1.384 1.00 0.00 H new ATOM 1225 N LYS A 79 2.875 -11.498 0.893 1.00 0.00 N ATOM 1226 CA LYS A 79 3.780 -11.386 2.046 1.00 0.00 C ATOM 1227 C LYS A 79 3.205 -10.441 3.104 1.00 0.00 C ATOM 1228 O LYS A 79 3.523 -10.572 4.282 1.00 0.00 O ATOM 1229 CB LYS A 79 5.167 -10.875 1.629 1.00 0.00 C ATOM 1230 CG LYS A 79 6.339 -11.532 2.367 1.00 0.00 C ATOM 1231 CD LYS A 79 7.640 -10.859 1.893 1.00 0.00 C ATOM 1232 CE LYS A 79 8.913 -11.633 2.264 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.132 -11.710 3.723 1.00 0.00 N ATOM 0 H LYS A 79 3.232 -11.095 0.026 1.00 0.00 H new ATOM 0 HA LYS A 79 3.881 -12.388 2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.292 -11.037 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.208 -9.799 1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.222 -11.418 3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.367 -12.602 2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.602 -10.740 0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.697 -9.859 2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.851 -12.642 1.857 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.773 -11.154 1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.004 -12.243 3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.220 -10.750 4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.326 -12.192 4.170 1.00 0.00 H new ATOM 1247 N MET A 80 2.442 -9.440 2.659 1.00 0.00 N ATOM 1248 CA MET A 80 1.858 -8.412 3.501 1.00 0.00 C ATOM 1249 C MET A 80 0.975 -9.020 4.588 1.00 0.00 C ATOM 1250 O MET A 80 0.233 -9.970 4.351 1.00 0.00 O ATOM 1251 CB MET A 80 1.069 -7.467 2.603 1.00 0.00 C ATOM 1252 CG MET A 80 0.426 -6.269 3.294 1.00 0.00 C ATOM 1253 SD MET A 80 0.382 -4.818 2.218 1.00 0.00 S ATOM 1254 CE MET A 80 -1.304 -4.193 2.424 1.00 0.00 C ATOM 0 H MET A 80 2.211 -9.326 1.672 1.00 0.00 H new ATOM 0 HA MET A 80 2.643 -7.861 4.019 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.735 -7.097 1.824 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.285 -8.039 2.107 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.588 -6.526 3.599 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.981 -6.032 4.202 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.440 -3.304 1.808 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.016 -4.959 2.117 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.473 -3.939 3.471 1.00 0.00 H new ATOM 1264 N ILE A 81 1.069 -8.442 5.784 1.00 0.00 N ATOM 1265 CA ILE A 81 0.472 -8.948 7.007 1.00 0.00 C ATOM 1266 C ILE A 81 -0.432 -7.844 7.543 1.00 0.00 C ATOM 1267 O ILE A 81 0.012 -6.965 8.279 1.00 0.00 O ATOM 1268 CB ILE A 81 1.583 -9.308 8.008 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.671 -10.226 7.424 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.992 -9.912 9.291 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.170 -11.608 6.991 1.00 0.00 C ATOM 0 H ILE A 81 1.585 -7.574 5.928 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.111 -9.853 6.834 1.00 0.00 H new ATOM 0 HB ILE A 81 2.080 -8.369 8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.123 -9.731 6.564 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.458 -10.355 8.168 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.798 -10.158 9.982 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.321 -9.190 9.758 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.437 -10.817 9.045 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.002 -12.188 6.592 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.745 -12.127 7.850 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.406 -11.494 6.222 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.698 -7.861 7.135 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.684 -6.888 7.561 1.00 0.00 C ATOM 1285 C PHE A 82 -4.050 -7.550 7.383 1.00 0.00 C ATOM 1286 O PHE A 82 -4.237 -8.286 6.415 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.498 -5.608 6.732 1.00 0.00 C ATOM 1288 CG PHE A 82 -3.160 -4.377 7.307 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.620 -3.767 8.454 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.237 -3.774 6.634 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -3.174 -2.573 8.947 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.767 -2.565 7.110 1.00 0.00 C ATOM 1293 CZ PHE A 82 -4.255 -1.973 8.279 1.00 0.00 C ATOM 0 H PHE A 82 -2.066 -8.562 6.492 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.583 -6.590 8.605 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.431 -5.413 6.626 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.892 -5.781 5.730 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.777 -4.218 8.957 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.655 -4.240 5.754 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.769 -2.117 9.838 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.574 -2.086 6.575 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.691 -1.062 8.661 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.964 -7.378 8.340 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.255 -8.054 8.360 1.00 0.00 C ATOM 1305 C ALA A 83 -7.303 -7.049 8.820 1.00 0.00 C ATOM 1306 O ALA A 83 -7.193 -6.512 9.921 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.195 -9.259 9.306 1.00 0.00 C ATOM 0 H ALA A 83 -4.822 -6.754 9.134 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.515 -8.424 7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.162 -9.761 9.318 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.429 -9.954 8.962 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.950 -8.920 10.313 1.00 0.00 H new ATOM 1313 N GLY A 84 -8.296 -6.763 7.975 1.00 0.00 N ATOM 1314 CA GLY A 84 -9.164 -5.620 8.195 1.00 0.00 C ATOM 1315 C GLY A 84 -8.354 -4.342 7.990 1.00 0.00 C ATOM 1316 O GLY A 84 -7.335 -4.367 7.304 1.00 0.00 O ATOM 0 H GLY A 84 -8.513 -7.307 7.140 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.007 -5.648 7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.577 -5.648 9.203 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.796 -3.227 8.580 1.00 0.00 N ATOM 1321 CA ILE A 85 -8.141 -1.944 8.405 1.00 0.00 C ATOM 1322 C ILE A 85 -8.410 -1.069 9.633 1.00 0.00 C ATOM 1323 O ILE A 85 -7.512 -0.861 10.444 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.497 -1.368 7.016 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -7.855 0.001 6.772 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -10.000 -1.323 6.695 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -7.299 0.125 5.356 1.00 0.00 C ATOM 0 H ILE A 85 -9.615 -3.197 9.188 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.054 -2.020 8.375 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.067 -2.089 6.321 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.594 0.784 6.942 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.052 0.159 7.492 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.147 -0.904 5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.409 -2.333 6.727 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.511 -0.701 7.430 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.853 1.111 5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.540 -0.641 5.195 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.106 -0.006 4.635 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.656 -0.635 9.843 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.099 -0.080 11.100 1.00 0.00 C ATOM 1341 C LYS A 86 -11.618 -0.210 11.165 1.00 0.00 C ATOM 1342 O LYS A 86 -12.135 -1.104 11.825 1.00 0.00 O ATOM 1343 CB LYS A 86 -9.617 1.372 11.230 1.00 0.00 C ATOM 1344 CG LYS A 86 -9.981 1.917 12.606 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.191 3.184 12.969 1.00 0.00 C ATOM 1346 CE LYS A 86 -9.655 4.429 12.194 1.00 0.00 C ATOM 1347 NZ LYS A 86 -8.680 5.536 12.297 1.00 0.00 N ATOM 0 H LYS A 86 -10.384 -0.665 9.129 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.673 -0.621 11.945 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.538 1.421 11.083 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.072 1.987 10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.048 2.138 12.634 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.795 1.150 13.357 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.289 3.372 14.038 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.133 3.014 12.771 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.802 4.170 11.145 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.620 4.758 12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.029 6.357 11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.559 5.800 13.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.766 5.231 11.906 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.322 0.690 10.472 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.768 0.847 10.522 1.00 0.00 C ATOM 1363 C LYS A 87 -14.137 1.957 9.540 1.00 0.00 C ATOM 1364 O LYS A 87 -14.430 3.080 9.941 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.211 1.169 11.958 1.00 0.00 C ATOM 1366 CG LYS A 87 -15.723 1.390 12.060 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.142 1.216 13.527 1.00 0.00 C ATOM 1368 CE LYS A 87 -17.607 1.615 13.745 1.00 0.00 C ATOM 1369 NZ LYS A 87 -18.057 1.324 15.124 1.00 0.00 N ATOM 0 H LYS A 87 -11.877 1.353 9.837 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.282 -0.071 10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.919 0.352 12.618 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.691 2.061 12.306 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.985 2.387 11.707 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.254 0.678 11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.998 0.178 13.827 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.500 1.824 14.164 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.728 2.679 13.540 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.239 1.080 13.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.052 1.608 15.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.965 0.305 15.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.471 1.854 15.800 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.063 1.645 8.245 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.234 2.568 7.130 1.00 0.00 C ATOM 1385 C LYS A 88 -13.185 3.688 7.088 1.00 0.00 C ATOM 1386 O LYS A 88 -12.442 3.772 6.120 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.667 3.104 6.995 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.648 2.010 6.545 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.995 2.635 6.152 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.951 1.570 5.589 1.00 0.00 C ATOM 1391 NZ LYS A 88 -20.254 2.144 5.186 1.00 0.00 N ATOM 0 H LYS A 88 -13.872 0.693 7.934 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.053 1.960 6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.993 3.513 7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.682 3.923 6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -16.232 1.464 5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.794 1.289 7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.447 3.112 7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.835 3.415 5.408 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.487 1.087 4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -19.113 0.797 6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -20.865 1.390 4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -20.710 2.583 6.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -20.104 2.863 4.450 1.00 0.00 H new ATOM 1405 N THR A 89 -13.108 4.537 8.113 1.00 0.00 N ATOM 1406 CA THR A 89 -12.229 5.695 8.179 1.00 0.00 C ATOM 1407 C THR A 89 -10.824 5.396 7.644 1.00 0.00 C ATOM 1408 O THR A 89 -10.396 6.012 6.674 1.00 0.00 O ATOM 1409 CB THR A 89 -12.232 6.198 9.627 1.00 0.00 C ATOM 1410 OG1 THR A 89 -13.578 6.369 10.023 1.00 0.00 O ATOM 1411 CG2 THR A 89 -11.470 7.512 9.791 1.00 0.00 C ATOM 0 H THR A 89 -13.680 4.429 8.950 1.00 0.00 H new ATOM 0 HA THR A 89 -12.599 6.484 7.524 1.00 0.00 H new ATOM 0 HB THR A 89 -11.724 5.464 10.253 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.608 6.689 10.949 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.503 7.824 10.835 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.433 7.372 9.487 1.00 0.00 H new ATOM 0 HG23 THR A 89 -11.930 8.279 9.168 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.121 4.418 8.230 1.00 0.00 N ATOM 1420 CA GLU A 90 -8.774 4.054 7.795 1.00 0.00 C ATOM 1421 C GLU A 90 -8.760 3.652 6.315 1.00 0.00 C ATOM 1422 O GLU A 90 -7.875 4.046 5.560 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.194 2.992 8.735 1.00 0.00 C ATOM 1424 CG GLU A 90 -6.669 2.940 8.665 1.00 0.00 C ATOM 1425 CD GLU A 90 -6.042 2.276 9.882 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.297 2.756 11.016 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -5.262 1.328 9.683 1.00 0.00 O ATOM 0 H GLU A 90 -10.470 3.863 9.012 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.118 4.922 7.861 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.503 3.205 9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.603 2.015 8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.370 2.398 7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.280 3.954 8.570 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.797 2.926 5.895 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.003 2.485 4.519 1.00 0.00 C ATOM 1436 C ARG A 91 -10.166 3.654 3.540 1.00 0.00 C ATOM 1437 O ARG A 91 -10.046 3.441 2.338 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.221 1.543 4.473 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.185 0.552 3.303 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.385 -0.404 3.338 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.652 0.334 3.202 1.00 0.00 N ATOM 1442 CZ ARG A 91 -14.464 0.341 2.128 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.395 -0.607 1.191 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -15.363 1.323 2.003 1.00 0.00 N ATOM 0 H ARG A 91 -10.539 2.620 6.525 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.110 1.950 4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.275 0.986 5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.130 2.141 4.405 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.183 1.100 2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.260 -0.023 3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.297 -1.134 2.533 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.383 -0.961 4.275 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.944 0.896 4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.714 -1.362 1.278 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.023 -0.577 0.388 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.425 2.051 2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.986 1.344 1.196 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.446 4.869 4.027 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.647 6.054 3.206 1.00 0.00 C ATOM 1460 C GLU A 92 -9.590 7.142 3.502 1.00 0.00 C ATOM 1461 O GLU A 92 -9.445 8.100 2.742 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.084 6.540 3.450 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.586 7.386 2.276 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.052 6.551 1.088 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.851 5.619 1.324 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -12.605 6.887 -0.029 1.00 0.00 O ATOM 0 H GLU A 92 -10.540 5.052 5.026 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.516 5.816 2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.742 5.683 3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.122 7.127 4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.410 8.014 2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.788 8.054 1.951 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.903 7.053 4.642 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.792 7.909 5.063 1.00 0.00 C ATOM 1475 C ASP A 93 -6.514 7.453 4.363 1.00 0.00 C ATOM 1476 O ASP A 93 -5.836 8.233 3.706 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.602 7.827 6.591 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.326 8.883 7.415 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -8.562 9.987 6.879 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -8.596 8.586 8.600 1.00 0.00 O ATOM 0 H ASP A 93 -9.120 6.339 5.338 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.014 8.941 4.793 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.934 6.844 6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.536 7.894 6.808 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.172 6.174 4.486 1.00 0.00 N ATOM 1486 CA LEU A 94 -4.974 5.607 3.877 1.00 0.00 C ATOM 1487 C LEU A 94 -5.009 5.821 2.370 1.00 0.00 C ATOM 1488 O LEU A 94 -4.032 6.246 1.752 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.921 4.109 4.192 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.387 3.808 5.601 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -2.880 3.664 5.506 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.653 4.874 6.667 1.00 0.00 C ATOM 0 H LEU A 94 -6.722 5.497 5.015 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.088 6.098 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.921 3.687 4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.289 3.611 3.456 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.918 2.911 5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.472 3.449 6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.635 2.848 4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.449 4.591 5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.230 4.551 7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.191 5.814 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.728 5.018 6.778 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.180 5.560 1.795 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.404 5.640 0.367 1.00 0.00 C ATOM 1506 C ILE A 95 -6.669 7.103 -0.024 1.00 0.00 C ATOM 1507 O ILE A 95 -6.966 7.379 -1.182 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.529 4.657 -0.034 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.492 3.331 0.761 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.497 4.331 -1.537 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.207 2.514 0.615 1.00 0.00 C ATOM 0 H ILE A 95 -7.008 5.283 2.322 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.522 5.331 -0.193 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.455 5.177 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.641 3.556 1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.333 2.714 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.303 3.638 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.625 5.249 -2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.540 3.875 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.284 1.605 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.061 2.249 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.359 3.105 0.962 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.522 8.059 0.911 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.472 9.474 0.597 1.00 0.00 C ATOM 1525 C ALA A 96 -5.004 9.880 0.584 1.00 0.00 C ATOM 1526 O ALA A 96 -4.528 10.402 -0.423 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.313 10.272 1.591 1.00 0.00 C ATOM 0 H ALA A 96 -6.435 7.857 1.907 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.903 9.687 -0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.264 11.332 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.349 9.935 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.927 10.119 2.599 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.263 9.574 1.657 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.827 9.795 1.690 1.00 0.00 C ATOM 1535 C TYR A 97 -2.166 9.235 0.448 1.00 0.00 C ATOM 1536 O TYR A 97 -1.539 9.995 -0.279 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.157 9.227 2.948 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.633 9.150 2.882 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.119 10.124 2.184 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.027 8.023 3.412 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.507 9.975 2.038 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.406 7.855 3.211 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.147 8.825 2.526 1.00 0.00 C ATOM 1544 OH TYR A 97 3.483 8.644 2.342 1.00 0.00 O ATOM 0 H TYR A 97 -4.644 9.171 2.513 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.688 10.876 1.718 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.439 9.842 3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.550 8.227 3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.377 10.986 1.762 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.529 7.287 3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.084 10.746 1.549 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.899 6.971 3.588 1.00 0.00 H new ATOM 0 HH TYR A 97 3.926 8.573 3.213 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.262 7.931 0.190 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.472 7.353 -0.889 1.00 0.00 C ATOM 1556 C LEU A 98 -1.828 7.952 -2.252 1.00 0.00 C ATOM 1557 O LEU A 98 -0.984 7.991 -3.151 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.525 5.826 -0.861 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.989 5.267 0.464 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.196 3.753 0.478 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.503 5.543 0.686 1.00 0.00 C ATOM 0 H LEU A 98 -2.858 7.276 0.696 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.430 7.625 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.553 5.494 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.940 5.426 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.538 5.769 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.819 3.343 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.259 3.530 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.658 3.304 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.813 5.120 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.081 5.087 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.677 6.619 0.692 1.00 0.00 H new ATOM 1573 N LYS A 99 -3.047 8.490 -2.368 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.545 9.132 -3.576 1.00 0.00 C ATOM 1575 C LYS A 99 -2.709 10.359 -3.929 1.00 0.00 C ATOM 1576 O LYS A 99 -2.677 10.785 -5.081 1.00 0.00 O ATOM 1577 CB LYS A 99 -5.025 9.503 -3.387 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.797 9.398 -4.708 1.00 0.00 C ATOM 1579 CD LYS A 99 -7.254 9.879 -4.601 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.998 9.223 -3.426 1.00 0.00 C ATOM 1581 NZ LYS A 99 -9.463 9.376 -3.519 1.00 0.00 N ATOM 0 H LYS A 99 -3.724 8.488 -1.605 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.461 8.434 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.476 8.843 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.101 10.518 -2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.283 9.985 -5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.788 8.361 -5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.269 10.962 -4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.778 9.656 -5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.750 8.162 -3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.650 9.662 -2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.909 8.975 -2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.703 10.385 -3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.812 8.875 -4.361 1.00 0.00 H new ATOM 1595 N LYS A 100 -2.047 10.924 -2.921 1.00 0.00 N ATOM 1596 CA LYS A 100 -1.229 12.098 -2.969 1.00 0.00 C ATOM 1597 C LYS A 100 0.232 11.696 -2.738 1.00 0.00 C ATOM 1598 O LYS A 100 1.097 12.363 -3.275 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.824 13.068 -1.938 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.824 13.794 -1.048 1.00 0.00 C ATOM 1601 CD LYS A 100 0.070 14.758 -1.843 1.00 0.00 C ATOM 1602 CE LYS A 100 0.004 16.220 -1.383 1.00 0.00 C ATOM 1603 NZ LYS A 100 0.675 16.422 -0.084 1.00 0.00 N ATOM 0 H LYS A 100 -2.083 10.528 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.223 12.606 -3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.415 13.814 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.511 12.512 -1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.361 14.350 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.200 13.063 -0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.102 14.416 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.212 14.709 -2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.469 16.858 -2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.038 16.529 -1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.924 17.426 0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.035 16.138 0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.539 15.844 -0.046 1.00 0.00 H new ATOM 1617 N ALA A 101 0.535 10.607 -2.016 1.00 0.00 N ATOM 1618 CA ALA A 101 1.892 10.085 -1.834 1.00 0.00 C ATOM 1619 C ALA A 101 2.538 9.833 -3.180 1.00 0.00 C ATOM 1620 O ALA A 101 3.687 10.185 -3.439 1.00 0.00 O ATOM 1621 CB ALA A 101 1.885 8.778 -1.043 1.00 0.00 C ATOM 0 H ALA A 101 -0.174 10.055 -1.533 1.00 0.00 H new ATOM 0 HA ALA A 101 2.458 10.832 -1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.907 8.418 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.446 8.950 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.297 8.032 -1.578 1.00 0.00 H new ATOM 1627 N THR A 102 1.741 9.227 -4.053 1.00 0.00 N ATOM 1628 CA THR A 102 2.092 8.937 -5.427 1.00 0.00 C ATOM 1629 C THR A 102 2.550 10.192 -6.196 1.00 0.00 C ATOM 1630 O THR A 102 3.157 10.068 -7.258 1.00 0.00 O ATOM 1631 CB THR A 102 0.865 8.251 -6.037 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.185 7.446 -7.149 1.00 0.00 O ATOM 1633 CG2 THR A 102 -0.229 9.268 -6.367 1.00 0.00 C ATOM 0 H THR A 102 0.801 8.916 -3.809 1.00 0.00 H new ATOM 0 HA THR A 102 2.959 8.279 -5.488 1.00 0.00 H new ATOM 0 HB THR A 102 0.474 7.573 -5.278 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.903 7.870 -7.664 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.087 8.752 -6.798 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.535 9.782 -5.456 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.154 9.995 -7.082 1.00 0.00 H new ATOM 1641 N ASN A 103 2.238 11.384 -5.670 1.00 0.00 N ATOM 1642 CA ASN A 103 2.655 12.688 -6.166 1.00 0.00 C ATOM 1643 C ASN A 103 3.006 13.622 -4.990 1.00 0.00 C ATOM 1644 O ASN A 103 2.657 14.801 -5.022 1.00 0.00 O ATOM 1645 CB ASN A 103 1.508 13.242 -7.026 1.00 0.00 C ATOM 1646 CG ASN A 103 1.877 14.502 -7.804 1.00 0.00 C ATOM 1647 OD1 ASN A 103 1.210 15.527 -7.701 1.00 0.00 O ATOM 1648 ND2 ASN A 103 2.902 14.422 -8.648 1.00 0.00 N ATOM 0 H ASN A 103 1.653 11.460 -4.838 1.00 0.00 H new ATOM 0 HA ASN A 103 3.556 12.609 -6.774 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.188 12.472 -7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 103 0.656 13.460 -6.382 1.00 0.00 H new ATOM 0 HD21 ASN A 103 3.149 15.224 -9.228 1.00 0.00 H new ATOM 0 HD22 ASN A 103 3.441 13.559 -8.715 1.00 0.00 H new ATOM 1655 N GLU A 104 3.658 13.095 -3.943 1.00 0.00 N ATOM 1656 CA GLU A 104 4.234 13.902 -2.865 1.00 0.00 C ATOM 1657 C GLU A 104 5.520 14.536 -3.410 1.00 0.00 C ATOM 1658 O GLU A 104 5.865 15.637 -2.930 1.00 0.00 O ATOM 1659 CB GLU A 104 4.536 13.028 -1.624 1.00 0.00 C ATOM 1660 CG GLU A 104 3.461 12.966 -0.523 1.00 0.00 C ATOM 1661 CD GLU A 104 3.519 14.078 0.513 1.00 0.00 C ATOM 1662 OE1 GLU A 104 2.869 15.118 0.266 1.00 0.00 O ATOM 1663 OE2 GLU A 104 4.115 13.830 1.586 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.143 13.902 -4.293 1.00 0.00 O ATOM 0 H GLU A 104 3.799 12.092 -3.823 1.00 0.00 H new ATOM 0 HA GLU A 104 3.532 14.673 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.727 12.011 -1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.460 13.391 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.479 12.985 -0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.548 12.009 -0.008 1.00 0.00 H new