USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 708 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 72 THR OG1 : rot -150:sc= -0.0775 USER MOD Set 1.2: A 73 GLN : amide:sc= 0.311 K(o=1.1,f=-5.7!) USER MOD Set 1.3: A 74 ASN : amide:sc= 0.822 X(o=1.1,f=1) USER MOD Set 2.1: A 3 MET CE :methyl -150:sc= -0.58 (180deg=-0.0362) USER MOD Set 2.2: A 59 GLN : amide:sc= -0.365 K(o=-0.95,f=-1.8) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.13 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -170:sc= 2.35 (180deg=2.06) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -168:sc=-0.00903 (180deg=-0.207) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0867 USER MOD Single : A 49 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.2) USER MOD Single : A 55 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.22) USER MOD Single : A 57 ASN : amide:sc= -0.0479 X(o=-0.048,f=-0.097) USER MOD Single : A 67 SER OG : rot 15:sc= 0.871 USER MOD Single : A 78 THR OG1 : rot 77:sc= 1.29 USER MOD Single : A 82 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 83 THR OG1 : rot -123:sc= -0.669 USER MOD Single : A 84 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0812) USER MOD Single : A 86 ASN : amide:sc= 1.19 K(o=1.2,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.442 -14.624 -4.579 1.00 0.00 N ATOM 2 CA GLY A 1 13.178 -13.399 -4.900 1.00 0.00 C ATOM 3 C GLY A 1 13.201 -12.468 -3.721 1.00 0.00 C ATOM 4 O GLY A 1 12.580 -12.758 -2.695 1.00 0.00 O ATOM 0 H1 GLY A 1 13.051 -15.450 -4.749 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.155 -14.605 -3.579 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.596 -14.688 -5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.198 -13.648 -5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.714 -12.903 -5.752 1.00 0.00 H new ATOM 10 N HIS A 2 13.905 -11.359 -3.848 1.00 0.00 N ATOM 11 CA HIS A 2 13.995 -10.368 -2.783 1.00 0.00 C ATOM 12 C HIS A 2 12.663 -9.663 -2.631 1.00 0.00 C ATOM 13 O HIS A 2 12.331 -8.794 -3.452 1.00 0.00 O ATOM 14 CB HIS A 2 15.095 -9.325 -3.075 1.00 0.00 C ATOM 15 CG HIS A 2 16.493 -9.869 -3.139 1.00 0.00 C ATOM 16 ND1 HIS A 2 17.112 -10.273 -4.306 1.00 0.00 N ATOM 17 CD2 HIS A 2 17.407 -10.042 -2.153 1.00 0.00 C ATOM 18 CE1 HIS A 2 18.345 -10.667 -4.008 1.00 0.00 C ATOM 19 NE2 HIS A 2 18.584 -10.549 -2.709 1.00 0.00 N ATOM 0 H HIS A 2 14.430 -11.117 -4.688 1.00 0.00 H new ATOM 0 HA HIS A 2 14.252 -10.887 -1.860 1.00 0.00 H new ATOM 0 HB2 HIS A 2 14.868 -8.838 -4.023 1.00 0.00 H new ATOM 0 HB3 HIS A 2 15.057 -8.555 -2.304 1.00 0.00 H new ATOM 0 HD2 HIS A 2 17.251 -9.823 -1.107 1.00 0.00 H new ATOM 0 HE1 HIS A 2 19.059 -11.035 -4.729 1.00 0.00 H new ATOM 0 HE2 HIS A 2 19.448 -10.780 -2.218 1.00 0.00 H new ATOM 27 N MET A 3 11.902 -10.058 -1.598 1.00 0.00 N ATOM 28 CA MET A 3 10.576 -9.518 -1.294 1.00 0.00 C ATOM 29 C MET A 3 9.543 -9.986 -2.314 1.00 0.00 C ATOM 30 O MET A 3 9.659 -9.723 -3.506 1.00 0.00 O ATOM 31 CB MET A 3 10.635 -7.998 -1.182 1.00 0.00 C ATOM 32 CG MET A 3 9.338 -7.301 -0.828 1.00 0.00 C ATOM 33 SD MET A 3 9.575 -5.518 -0.732 1.00 0.00 S ATOM 34 CE MET A 3 7.968 -4.981 -0.164 1.00 0.00 C ATOM 0 H MET A 3 12.202 -10.777 -0.940 1.00 0.00 H new ATOM 0 HA MET A 3 10.254 -9.904 -0.327 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.379 -7.739 -0.429 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.990 -7.598 -2.132 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.580 -7.532 -1.576 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.968 -7.675 0.127 1.00 0.00 H new ATOM 0 HE1 MET A 3 7.764 -3.980 -0.544 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.205 -5.670 -0.527 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.954 -4.966 0.926 1.00 0.00 H new ATOM 44 N GLU A 4 8.549 -10.694 -1.847 1.00 0.00 N ATOM 45 CA GLU A 4 7.531 -11.215 -2.733 1.00 0.00 C ATOM 46 C GLU A 4 6.477 -10.174 -2.957 1.00 0.00 C ATOM 47 O GLU A 4 5.713 -9.881 -2.051 1.00 0.00 O ATOM 48 CB GLU A 4 6.885 -12.471 -2.156 1.00 0.00 C ATOM 49 CG GLU A 4 5.829 -13.094 -3.051 1.00 0.00 C ATOM 50 CD GLU A 4 5.206 -14.315 -2.440 1.00 0.00 C ATOM 51 OE1 GLU A 4 4.383 -14.185 -1.518 1.00 0.00 O ATOM 52 OE2 GLU A 4 5.507 -15.437 -2.889 1.00 0.00 O ATOM 0 H GLU A 4 8.419 -10.925 -0.862 1.00 0.00 H new ATOM 0 HA GLU A 4 8.007 -11.475 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.663 -13.210 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.432 -12.225 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.052 -12.358 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.279 -13.359 -4.008 1.00 0.00 H new ATOM 59 N LEU A 5 6.468 -9.584 -4.129 1.00 0.00 N ATOM 60 CA LEU A 5 5.458 -8.621 -4.468 1.00 0.00 C ATOM 61 C LEU A 5 4.251 -9.356 -5.001 1.00 0.00 C ATOM 62 O LEU A 5 4.382 -10.250 -5.852 1.00 0.00 O ATOM 63 CB LEU A 5 5.950 -7.589 -5.508 1.00 0.00 C ATOM 64 CG LEU A 5 7.215 -6.777 -5.169 1.00 0.00 C ATOM 65 CD1 LEU A 5 7.195 -6.261 -3.754 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.489 -7.537 -5.467 1.00 0.00 C ATOM 0 H LEU A 5 7.154 -9.758 -4.864 1.00 0.00 H new ATOM 0 HA LEU A 5 5.204 -8.063 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.131 -8.117 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.139 -6.885 -5.691 1.00 0.00 H new ATOM 0 HG LEU A 5 7.205 -5.910 -5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.106 -5.695 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.329 -5.614 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.135 -7.101 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.350 -6.919 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.512 -8.454 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.525 -7.786 -6.528 1.00 0.00 H new ATOM 78 N PHE A 6 3.110 -9.033 -4.497 1.00 0.00 N ATOM 79 CA PHE A 6 1.894 -9.662 -4.899 1.00 0.00 C ATOM 80 C PHE A 6 0.762 -8.661 -5.042 1.00 0.00 C ATOM 81 O PHE A 6 0.670 -7.696 -4.294 1.00 0.00 O ATOM 82 CB PHE A 6 1.501 -10.802 -3.946 1.00 0.00 C ATOM 83 CG PHE A 6 1.598 -10.489 -2.489 1.00 0.00 C ATOM 84 CD1 PHE A 6 0.596 -9.785 -1.862 1.00 0.00 C ATOM 85 CD2 PHE A 6 2.685 -10.900 -1.755 1.00 0.00 C ATOM 86 CE1 PHE A 6 0.676 -9.490 -0.519 1.00 0.00 C ATOM 87 CE2 PHE A 6 2.778 -10.615 -0.416 1.00 0.00 C ATOM 88 CZ PHE A 6 1.772 -9.905 0.207 1.00 0.00 C ATOM 0 H PHE A 6 2.991 -8.314 -3.783 1.00 0.00 H new ATOM 0 HA PHE A 6 2.076 -10.098 -5.881 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.476 -11.099 -4.168 1.00 0.00 H new ATOM 0 HB3 PHE A 6 2.135 -11.663 -4.157 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.263 -9.460 -2.430 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.476 -11.454 -2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.116 -8.936 -0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.637 -10.946 0.149 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.843 -9.675 1.260 1.00 0.00 H new ATOM 98 N PRO A 7 -0.079 -8.860 -6.033 1.00 0.00 N ATOM 99 CA PRO A 7 -1.234 -8.024 -6.254 1.00 0.00 C ATOM 100 C PRO A 7 -2.432 -8.439 -5.408 1.00 0.00 C ATOM 101 O PRO A 7 -2.880 -9.594 -5.431 1.00 0.00 O ATOM 102 CB PRO A 7 -1.548 -8.247 -7.707 1.00 0.00 C ATOM 103 CG PRO A 7 -1.088 -9.647 -7.984 1.00 0.00 C ATOM 104 CD PRO A 7 0.046 -9.915 -7.047 1.00 0.00 C ATOM 0 HA PRO A 7 -1.032 -6.987 -5.986 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.614 -8.134 -7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.029 -7.527 -8.340 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.898 -10.360 -7.827 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.768 -9.752 -9.021 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.029 -10.908 -6.603 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.007 -9.866 -7.558 1.00 0.00 H new ATOM 112 N VAL A 8 -2.917 -7.532 -4.654 1.00 0.00 N ATOM 113 CA VAL A 8 -4.105 -7.740 -3.900 1.00 0.00 C ATOM 114 C VAL A 8 -5.125 -6.805 -4.447 1.00 0.00 C ATOM 115 O VAL A 8 -5.033 -5.611 -4.218 1.00 0.00 O ATOM 116 CB VAL A 8 -3.916 -7.421 -2.393 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.160 -7.764 -1.592 1.00 0.00 C ATOM 118 CG2 VAL A 8 -2.695 -8.106 -1.837 1.00 0.00 C ATOM 0 H VAL A 8 -2.500 -6.608 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.395 -8.788 -3.978 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.758 -6.346 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.993 -7.528 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.004 -7.183 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.377 -8.827 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.591 -7.862 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.799 -9.185 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.810 -7.767 -2.376 1.00 0.00 H new ATOM 128 N GLU A 9 -6.061 -7.300 -5.186 1.00 0.00 N ATOM 129 CA GLU A 9 -7.038 -6.431 -5.731 1.00 0.00 C ATOM 130 C GLU A 9 -8.177 -6.423 -4.798 1.00 0.00 C ATOM 131 O GLU A 9 -9.018 -7.333 -4.808 1.00 0.00 O ATOM 132 CB GLU A 9 -7.503 -6.820 -7.110 1.00 0.00 C ATOM 133 CG GLU A 9 -8.384 -5.754 -7.726 1.00 0.00 C ATOM 134 CD GLU A 9 -9.061 -6.211 -8.959 1.00 0.00 C ATOM 135 OE1 GLU A 9 -8.415 -6.266 -10.022 1.00 0.00 O ATOM 136 OE2 GLU A 9 -10.266 -6.499 -8.890 1.00 0.00 O ATOM 0 H GLU A 9 -6.167 -8.287 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.591 -5.444 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.638 -6.992 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.052 -7.760 -7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.134 -5.444 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.779 -4.876 -7.953 1.00 0.00 H new ATOM 143 N LEU A 10 -8.203 -5.447 -3.983 1.00 0.00 N ATOM 144 CA LEU A 10 -9.170 -5.382 -2.977 1.00 0.00 C ATOM 145 C LEU A 10 -10.368 -4.697 -3.564 1.00 0.00 C ATOM 146 O LEU A 10 -10.253 -4.010 -4.572 1.00 0.00 O ATOM 147 CB LEU A 10 -8.602 -4.595 -1.817 1.00 0.00 C ATOM 148 CG LEU A 10 -8.794 -5.162 -0.412 1.00 0.00 C ATOM 149 CD1 LEU A 10 -8.157 -4.261 0.577 1.00 0.00 C ATOM 150 CD2 LEU A 10 -10.245 -5.359 -0.091 1.00 0.00 C ATOM 0 H LEU A 10 -7.547 -4.666 -3.998 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.455 -6.369 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.532 -4.474 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.043 -3.599 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.318 -6.141 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.294 -4.666 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.092 -4.179 0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.616 -3.274 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.343 -5.764 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.764 -4.402 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.685 -6.055 -0.806 1.00 0.00 H new ATOM 162 N GLU A 11 -11.484 -4.905 -2.985 1.00 0.00 N ATOM 163 CA GLU A 11 -12.675 -4.284 -3.426 1.00 0.00 C ATOM 164 C GLU A 11 -13.268 -3.541 -2.277 1.00 0.00 C ATOM 165 O GLU A 11 -13.838 -4.129 -1.360 1.00 0.00 O ATOM 166 CB GLU A 11 -13.640 -5.300 -4.020 1.00 0.00 C ATOM 167 CG GLU A 11 -14.971 -4.714 -4.448 1.00 0.00 C ATOM 168 CD GLU A 11 -15.841 -5.726 -5.113 1.00 0.00 C ATOM 169 OE1 GLU A 11 -15.911 -6.875 -4.631 1.00 0.00 O ATOM 170 OE2 GLU A 11 -16.438 -5.406 -6.156 1.00 0.00 O ATOM 0 H GLU A 11 -11.602 -5.519 -2.179 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.456 -3.579 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.169 -5.771 -4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.820 -6.086 -3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.486 -4.310 -3.576 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.798 -3.881 -5.130 1.00 0.00 H new ATOM 177 N LYS A 12 -13.016 -2.278 -2.270 1.00 0.00 N ATOM 178 CA LYS A 12 -13.486 -1.411 -1.264 1.00 0.00 C ATOM 179 C LYS A 12 -14.686 -0.631 -1.690 1.00 0.00 C ATOM 180 O LYS A 12 -15.334 -0.912 -2.710 1.00 0.00 O ATOM 181 CB LYS A 12 -12.378 -0.450 -0.823 1.00 0.00 C ATOM 182 CG LYS A 12 -11.448 -1.024 0.220 1.00 0.00 C ATOM 183 CD LYS A 12 -12.217 -1.463 1.469 1.00 0.00 C ATOM 184 CE LYS A 12 -12.027 -0.592 2.698 1.00 0.00 C ATOM 185 NZ LYS A 12 -12.743 0.723 2.587 1.00 0.00 N ATOM 0 H LYS A 12 -12.460 -1.813 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.785 -2.041 -0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.794 -0.160 -1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.834 0.458 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.911 -1.876 -0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.701 -0.279 0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.280 -1.492 1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.918 -2.481 1.718 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.388 -1.126 3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.963 -0.411 2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.448 1.346 3.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.508 1.171 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.770 0.565 2.640 1.00 0.00 H new ATOM 199 N ASP A 13 -15.000 0.310 -0.858 1.00 0.00 N ATOM 200 CA ASP A 13 -16.023 1.261 -1.070 1.00 0.00 C ATOM 201 C ASP A 13 -15.498 2.234 -2.085 1.00 0.00 C ATOM 202 O ASP A 13 -14.283 2.419 -2.202 1.00 0.00 O ATOM 203 CB ASP A 13 -16.246 2.060 0.218 1.00 0.00 C ATOM 204 CG ASP A 13 -16.346 1.212 1.475 1.00 0.00 C ATOM 205 OD1 ASP A 13 -15.315 0.616 1.905 1.00 0.00 O ATOM 206 OD2 ASP A 13 -17.435 1.122 2.066 1.00 0.00 O ATOM 0 H ASP A 13 -14.519 0.435 0.033 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.944 0.768 -1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.427 2.769 0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.161 2.644 0.115 1.00 0.00 H new ATOM 211 N GLU A 14 -16.375 2.899 -2.761 1.00 0.00 N ATOM 212 CA GLU A 14 -15.976 3.917 -3.718 1.00 0.00 C ATOM 213 C GLU A 14 -15.458 5.161 -2.985 1.00 0.00 C ATOM 214 O GLU A 14 -14.913 6.084 -3.592 1.00 0.00 O ATOM 215 CB GLU A 14 -17.122 4.259 -4.669 1.00 0.00 C ATOM 216 CG GLU A 14 -18.406 4.681 -3.984 1.00 0.00 C ATOM 217 CD GLU A 14 -19.473 5.036 -4.973 1.00 0.00 C ATOM 218 OE1 GLU A 14 -20.151 4.127 -5.503 1.00 0.00 O ATOM 219 OE2 GLU A 14 -19.647 6.230 -5.260 1.00 0.00 O ATOM 0 H GLU A 14 -17.383 2.766 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 14 -15.163 3.521 -4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -16.799 5.061 -5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -17.328 3.391 -5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.759 3.873 -3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.209 5.537 -3.338 1.00 0.00 H new ATOM 226 N ASP A 15 -15.640 5.159 -1.667 1.00 0.00 N ATOM 227 CA ASP A 15 -15.137 6.212 -0.800 1.00 0.00 C ATOM 228 C ASP A 15 -13.629 6.075 -0.701 1.00 0.00 C ATOM 229 O ASP A 15 -12.899 7.075 -0.689 1.00 0.00 O ATOM 230 CB ASP A 15 -15.734 6.083 0.604 1.00 0.00 C ATOM 231 CG ASP A 15 -15.484 7.303 1.482 1.00 0.00 C ATOM 232 OD1 ASP A 15 -14.387 7.446 2.055 1.00 0.00 O ATOM 233 OD2 ASP A 15 -16.417 8.120 1.646 1.00 0.00 O ATOM 0 H ASP A 15 -16.143 4.423 -1.172 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.415 7.181 -1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.808 5.919 0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.314 5.202 1.090 1.00 0.00 H new ATOM 238 N GLY A 16 -13.159 4.829 -0.642 1.00 0.00 N ATOM 239 CA GLY A 16 -11.763 4.585 -0.555 1.00 0.00 C ATOM 240 C GLY A 16 -11.452 3.500 0.433 1.00 0.00 C ATOM 241 O GLY A 16 -12.226 2.543 0.597 1.00 0.00 O ATOM 0 H GLY A 16 -13.741 3.991 -0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.380 4.305 -1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.250 5.502 -0.263 1.00 0.00 H new ATOM 245 N LEU A 17 -10.351 3.639 1.107 1.00 0.00 N ATOM 246 CA LEU A 17 -9.912 2.639 2.047 1.00 0.00 C ATOM 247 C LEU A 17 -10.163 3.121 3.435 1.00 0.00 C ATOM 248 O LEU A 17 -10.679 2.386 4.273 1.00 0.00 O ATOM 249 CB LEU A 17 -8.423 2.413 1.914 1.00 0.00 C ATOM 250 CG LEU A 17 -7.889 2.308 0.513 1.00 0.00 C ATOM 251 CD1 LEU A 17 -6.407 2.113 0.547 1.00 0.00 C ATOM 252 CD2 LEU A 17 -8.581 1.215 -0.287 1.00 0.00 C ATOM 0 H LEU A 17 -9.730 4.444 1.025 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.456 1.717 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.906 3.231 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.167 1.498 2.448 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.106 3.244 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.026 2.038 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.940 2.961 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.173 1.198 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.161 1.178 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.431 0.254 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.648 1.429 -0.348 1.00 0.00 H new ATOM 264 N GLY A 18 -9.783 4.357 3.662 1.00 0.00 N ATOM 265 CA GLY A 18 -9.869 4.950 4.952 1.00 0.00 C ATOM 266 C GLY A 18 -8.691 4.555 5.804 1.00 0.00 C ATOM 267 O GLY A 18 -8.809 4.473 7.023 1.00 0.00 O ATOM 0 H GLY A 18 -9.404 4.974 2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.906 6.035 4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.794 4.641 5.438 1.00 0.00 H new ATOM 271 N ILE A 19 -7.546 4.301 5.174 1.00 0.00 N ATOM 272 CA ILE A 19 -6.375 3.854 5.932 1.00 0.00 C ATOM 273 C ILE A 19 -5.356 4.982 6.152 1.00 0.00 C ATOM 274 O ILE A 19 -5.610 6.148 5.833 1.00 0.00 O ATOM 275 CB ILE A 19 -5.675 2.621 5.287 1.00 0.00 C ATOM 276 CG1 ILE A 19 -4.971 3.001 3.982 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.697 1.521 5.031 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.142 1.880 3.381 1.00 0.00 C ATOM 0 H ILE A 19 -7.403 4.393 4.168 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.761 3.548 6.904 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.918 2.257 5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.720 3.316 3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.325 3.859 4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.201 0.662 4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.154 1.222 5.974 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.468 1.891 4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.675 2.227 2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.369 1.580 4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.786 1.028 3.163 1.00 0.00 H new ATOM 290 N SER A 20 -4.232 4.623 6.723 1.00 0.00 N ATOM 291 CA SER A 20 -3.160 5.536 7.019 1.00 0.00 C ATOM 292 C SER A 20 -1.838 4.883 6.608 1.00 0.00 C ATOM 293 O SER A 20 -1.731 3.653 6.602 1.00 0.00 O ATOM 294 CB SER A 20 -3.175 5.820 8.521 1.00 0.00 C ATOM 295 OG SER A 20 -4.454 6.287 8.930 1.00 0.00 O ATOM 0 H SER A 20 -4.034 3.662 7.001 1.00 0.00 H new ATOM 0 HA SER A 20 -3.277 6.473 6.475 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.920 4.914 9.070 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.416 6.564 8.763 1.00 0.00 H new ATOM 0 HG SER A 20 -4.445 6.462 9.894 1.00 0.00 H new ATOM 301 N ILE A 21 -0.856 5.686 6.285 1.00 0.00 N ATOM 302 CA ILE A 21 0.443 5.218 5.824 1.00 0.00 C ATOM 303 C ILE A 21 1.529 5.839 6.673 1.00 0.00 C ATOM 304 O ILE A 21 1.263 6.784 7.408 1.00 0.00 O ATOM 305 CB ILE A 21 0.670 5.587 4.320 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.561 7.113 4.071 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.284 4.821 3.414 1.00 0.00 C ATOM 308 CD1 ILE A 21 1.847 7.898 4.255 1.00 0.00 C ATOM 0 H ILE A 21 -0.930 6.702 6.333 1.00 0.00 H new ATOM 0 HA ILE A 21 0.476 4.132 5.917 1.00 0.00 H new ATOM 0 HB ILE A 21 1.689 5.290 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.200 7.273 3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.193 7.521 4.745 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.102 5.099 2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.122 3.750 3.537 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.313 5.065 3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.660 8.953 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.203 7.778 5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.602 7.527 3.562 1.00 0.00 H new ATOM 320 N ILE A 22 2.715 5.317 6.607 1.00 0.00 N ATOM 321 CA ILE A 22 3.820 5.909 7.297 1.00 0.00 C ATOM 322 C ILE A 22 5.044 5.961 6.396 1.00 0.00 C ATOM 323 O ILE A 22 5.394 4.965 5.739 1.00 0.00 O ATOM 324 CB ILE A 22 4.122 5.231 8.665 1.00 0.00 C ATOM 325 CG1 ILE A 22 5.250 5.974 9.407 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.435 3.752 8.504 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.535 5.453 10.799 1.00 0.00 C ATOM 0 H ILE A 22 2.944 4.475 6.078 1.00 0.00 H new ATOM 0 HA ILE A 22 3.535 6.932 7.543 1.00 0.00 H new ATOM 0 HB ILE A 22 3.221 5.298 9.275 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.162 5.908 8.814 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.989 7.030 9.474 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.640 3.315 9.481 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.581 3.246 8.052 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.308 3.633 7.863 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.342 6.033 11.247 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.639 5.545 11.412 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.830 4.405 10.742 1.00 0.00 H new ATOM 339 N GLY A 23 5.650 7.120 6.319 1.00 0.00 N ATOM 340 CA GLY A 23 6.789 7.302 5.477 1.00 0.00 C ATOM 341 C GLY A 23 8.064 6.970 6.180 1.00 0.00 C ATOM 342 O GLY A 23 8.498 7.699 7.064 1.00 0.00 O ATOM 0 H GLY A 23 5.365 7.952 6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.689 6.674 4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.824 8.336 5.133 1.00 0.00 H new ATOM 346 N MET A 24 8.643 5.865 5.817 1.00 0.00 N ATOM 347 CA MET A 24 9.903 5.422 6.388 1.00 0.00 C ATOM 348 C MET A 24 10.891 5.265 5.266 1.00 0.00 C ATOM 349 O MET A 24 10.532 5.431 4.102 1.00 0.00 O ATOM 350 CB MET A 24 9.732 4.090 7.150 1.00 0.00 C ATOM 351 CG MET A 24 8.694 4.127 8.275 1.00 0.00 C ATOM 352 SD MET A 24 9.082 5.311 9.595 1.00 0.00 S ATOM 353 CE MET A 24 10.564 4.589 10.295 1.00 0.00 C ATOM 0 H MET A 24 8.261 5.234 5.113 1.00 0.00 H new ATOM 0 HA MET A 24 10.260 6.159 7.107 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.450 3.314 6.439 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.695 3.802 7.571 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.722 4.377 7.851 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.606 3.131 8.708 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.797 5.080 11.240 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.403 3.525 10.469 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.395 4.722 9.603 1.00 0.00 H new ATOM 363 N GLY A 25 12.109 4.980 5.582 1.00 0.00 N ATOM 364 CA GLY A 25 13.082 4.813 4.548 1.00 0.00 C ATOM 365 C GLY A 25 13.770 3.487 4.629 1.00 0.00 C ATOM 366 O GLY A 25 14.659 3.288 5.462 1.00 0.00 O ATOM 0 H GLY A 25 12.455 4.858 6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.598 4.910 3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.823 5.610 4.616 1.00 0.00 H new ATOM 370 N VAL A 26 13.336 2.558 3.825 1.00 0.00 N ATOM 371 CA VAL A 26 13.977 1.259 3.767 1.00 0.00 C ATOM 372 C VAL A 26 14.990 1.208 2.594 1.00 0.00 C ATOM 373 O VAL A 26 14.657 0.918 1.428 1.00 0.00 O ATOM 374 CB VAL A 26 12.952 0.069 3.762 1.00 0.00 C ATOM 375 CG1 VAL A 26 12.003 0.108 2.576 1.00 0.00 C ATOM 376 CG2 VAL A 26 13.660 -1.268 3.846 1.00 0.00 C ATOM 0 H VAL A 26 12.540 2.669 3.197 1.00 0.00 H new ATOM 0 HA VAL A 26 14.543 1.124 4.689 1.00 0.00 H new ATOM 0 HB VAL A 26 12.339 0.192 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.320 -0.740 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.432 1.036 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.576 0.055 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.923 -2.071 3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.326 -1.381 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.241 -1.315 4.767 1.00 0.00 H new ATOM 386 N GLY A 27 16.210 1.542 2.910 1.00 0.00 N ATOM 387 CA GLY A 27 17.222 1.661 1.917 1.00 0.00 C ATOM 388 C GLY A 27 18.214 0.527 1.894 1.00 0.00 C ATOM 389 O GLY A 27 17.846 -0.649 1.669 1.00 0.00 O ATOM 0 H GLY A 27 16.523 1.737 3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.746 1.730 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.761 2.595 2.076 1.00 0.00 H new ATOM 393 N ALA A 28 19.457 0.864 2.167 1.00 0.00 N ATOM 394 CA ALA A 28 20.588 -0.042 2.024 1.00 0.00 C ATOM 395 C ALA A 28 20.611 -1.146 3.066 1.00 0.00 C ATOM 396 O ALA A 28 21.171 -2.212 2.820 1.00 0.00 O ATOM 397 CB ALA A 28 21.889 0.744 2.051 1.00 0.00 C ATOM 0 H ALA A 28 19.719 1.791 2.501 1.00 0.00 H new ATOM 0 HA ALA A 28 20.475 -0.537 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.730 0.059 1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.898 1.461 1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 28 21.973 1.276 2.999 1.00 0.00 H new ATOM 403 N ASP A 29 19.967 -0.913 4.202 1.00 0.00 N ATOM 404 CA ASP A 29 19.962 -1.893 5.306 1.00 0.00 C ATOM 405 C ASP A 29 19.218 -3.165 4.912 1.00 0.00 C ATOM 406 O ASP A 29 19.507 -4.254 5.400 1.00 0.00 O ATOM 407 CB ASP A 29 19.360 -1.288 6.578 1.00 0.00 C ATOM 408 CG ASP A 29 19.411 -2.231 7.763 1.00 0.00 C ATOM 409 OD1 ASP A 29 20.506 -2.438 8.324 1.00 0.00 O ATOM 410 OD2 ASP A 29 18.354 -2.749 8.178 1.00 0.00 O ATOM 0 H ASP A 29 19.440 -0.061 4.393 1.00 0.00 H new ATOM 0 HA ASP A 29 20.999 -2.159 5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 29 19.895 -0.372 6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 29 18.324 -1.010 6.386 1.00 0.00 H new ATOM 415 N ALA A 30 18.272 -3.021 4.018 1.00 0.00 N ATOM 416 CA ALA A 30 17.542 -4.164 3.523 1.00 0.00 C ATOM 417 C ALA A 30 18.020 -4.526 2.125 1.00 0.00 C ATOM 418 O ALA A 30 17.870 -5.670 1.673 1.00 0.00 O ATOM 419 CB ALA A 30 16.059 -3.881 3.526 1.00 0.00 C ATOM 0 H ALA A 30 17.989 -2.126 3.618 1.00 0.00 H new ATOM 0 HA ALA A 30 17.728 -5.013 4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 30 15.522 -4.752 3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 30 15.732 -3.664 4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 30 15.851 -3.023 2.887 1.00 0.00 H new ATOM 425 N GLY A 31 18.614 -3.555 1.449 1.00 0.00 N ATOM 426 CA GLY A 31 19.084 -3.776 0.105 1.00 0.00 C ATOM 427 C GLY A 31 18.033 -3.420 -0.896 1.00 0.00 C ATOM 428 O GLY A 31 17.996 -3.973 -2.002 1.00 0.00 O ATOM 0 H GLY A 31 18.778 -2.616 1.812 1.00 0.00 H new ATOM 0 HA2 GLY A 31 19.978 -3.179 -0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 31 19.368 -4.821 -0.017 1.00 0.00 H new ATOM 432 N LEU A 32 17.170 -2.505 -0.533 1.00 0.00 N ATOM 433 CA LEU A 32 16.065 -2.194 -1.374 1.00 0.00 C ATOM 434 C LEU A 32 16.211 -0.813 -2.002 1.00 0.00 C ATOM 435 O LEU A 32 16.336 -0.704 -3.212 1.00 0.00 O ATOM 436 CB LEU A 32 14.755 -2.322 -0.599 1.00 0.00 C ATOM 437 CG LEU A 32 14.506 -3.661 0.132 1.00 0.00 C ATOM 438 CD1 LEU A 32 13.097 -3.722 0.697 1.00 0.00 C ATOM 439 CD2 LEU A 32 14.798 -4.868 -0.760 1.00 0.00 C ATOM 0 H LEU A 32 17.219 -1.971 0.335 1.00 0.00 H new ATOM 0 HA LEU A 32 16.048 -2.914 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.717 -1.520 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.932 -2.156 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 32 15.207 -3.706 0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.950 -4.675 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.954 -2.906 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.375 -3.629 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 32 14.609 -5.786 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.153 -4.836 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.841 -4.843 -1.076 1.00 0.00 H new ATOM 451 N GLU A 33 16.196 0.240 -1.170 1.00 0.00 N ATOM 452 CA GLU A 33 16.295 1.642 -1.640 1.00 0.00 C ATOM 453 C GLU A 33 15.077 2.048 -2.462 1.00 0.00 C ATOM 454 O GLU A 33 15.146 2.862 -3.395 1.00 0.00 O ATOM 455 CB GLU A 33 17.613 1.919 -2.371 1.00 0.00 C ATOM 456 CG GLU A 33 18.833 1.760 -1.482 1.00 0.00 C ATOM 457 CD GLU A 33 20.105 2.124 -2.177 1.00 0.00 C ATOM 458 OE1 GLU A 33 20.660 1.279 -2.905 1.00 0.00 O ATOM 459 OE2 GLU A 33 20.587 3.253 -2.003 1.00 0.00 O ATOM 0 H GLU A 33 16.116 0.151 -0.157 1.00 0.00 H new ATOM 0 HA GLU A 33 16.302 2.275 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.699 1.242 -3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.593 2.932 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.716 2.385 -0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.895 0.728 -1.138 1.00 0.00 H new ATOM 466 N LYS A 34 13.955 1.524 -2.065 1.00 0.00 N ATOM 467 CA LYS A 34 12.700 1.879 -2.654 1.00 0.00 C ATOM 468 C LYS A 34 11.903 2.646 -1.623 1.00 0.00 C ATOM 469 O LYS A 34 12.472 3.155 -0.648 1.00 0.00 O ATOM 470 CB LYS A 34 11.913 0.636 -3.150 1.00 0.00 C ATOM 471 CG LYS A 34 11.682 -0.457 -2.110 1.00 0.00 C ATOM 472 CD LYS A 34 10.650 -1.499 -2.569 1.00 0.00 C ATOM 473 CE LYS A 34 10.900 -2.014 -3.986 1.00 0.00 C ATOM 474 NZ LYS A 34 12.224 -2.649 -4.165 1.00 0.00 N ATOM 0 H LYS A 34 13.886 0.833 -1.318 1.00 0.00 H new ATOM 0 HA LYS A 34 12.879 2.495 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.944 0.967 -3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.449 0.202 -3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.627 -0.956 -1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.344 -0.002 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.661 -2.341 -1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.654 -1.059 -2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.124 -2.735 -4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.808 -1.184 -4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.323 -2.974 -5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.972 -1.959 -3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.309 -3.462 -3.522 1.00 0.00 H new ATOM 488 N LEU A 35 10.618 2.742 -1.854 1.00 0.00 N ATOM 489 CA LEU A 35 9.691 3.394 -0.970 1.00 0.00 C ATOM 490 C LEU A 35 9.750 2.749 0.413 1.00 0.00 C ATOM 491 O LEU A 35 9.981 1.544 0.536 1.00 0.00 O ATOM 492 CB LEU A 35 8.285 3.208 -1.548 1.00 0.00 C ATOM 493 CG LEU A 35 7.805 1.750 -1.602 1.00 0.00 C ATOM 494 CD1 LEU A 35 6.800 1.450 -0.520 1.00 0.00 C ATOM 495 CD2 LEU A 35 7.297 1.366 -2.960 1.00 0.00 C ATOM 0 H LEU A 35 10.177 2.356 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 35 9.940 4.451 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.581 3.787 -0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.263 3.622 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 35 8.679 1.127 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.486 0.409 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.253 1.624 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.933 2.100 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.970 0.326 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.457 2.007 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.094 1.485 -3.694 1.00 0.00 H new ATOM 507 N GLY A 36 9.570 3.528 1.423 1.00 0.00 N ATOM 508 CA GLY A 36 9.482 2.978 2.737 1.00 0.00 C ATOM 509 C GLY A 36 8.132 3.245 3.315 1.00 0.00 C ATOM 510 O GLY A 36 7.988 3.453 4.506 1.00 0.00 O ATOM 0 H GLY A 36 9.481 4.543 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.666 1.904 2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.252 3.413 3.374 1.00 0.00 H new ATOM 514 N ILE A 37 7.141 3.250 2.466 1.00 0.00 N ATOM 515 CA ILE A 37 5.800 3.555 2.882 1.00 0.00 C ATOM 516 C ILE A 37 5.123 2.317 3.420 1.00 0.00 C ATOM 517 O ILE A 37 4.744 1.416 2.671 1.00 0.00 O ATOM 518 CB ILE A 37 4.939 4.141 1.741 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.634 5.351 1.078 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.562 4.543 2.293 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.763 6.567 1.953 1.00 0.00 C ATOM 0 H ILE A 37 7.239 3.044 1.472 1.00 0.00 H new ATOM 0 HA ILE A 37 5.884 4.312 3.661 1.00 0.00 H new ATOM 0 HB ILE A 37 4.811 3.377 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.630 5.047 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.078 5.624 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.954 4.957 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.066 3.666 2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.688 5.292 3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.263 7.362 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.772 6.904 2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.348 6.318 2.838 1.00 0.00 H new ATOM 533 N PHE A 38 4.993 2.272 4.692 1.00 0.00 N ATOM 534 CA PHE A 38 4.327 1.181 5.335 1.00 0.00 C ATOM 535 C PHE A 38 2.926 1.598 5.652 1.00 0.00 C ATOM 536 O PHE A 38 2.608 2.791 5.615 1.00 0.00 O ATOM 537 CB PHE A 38 5.061 0.754 6.607 1.00 0.00 C ATOM 538 CG PHE A 38 6.423 0.161 6.357 1.00 0.00 C ATOM 539 CD1 PHE A 38 6.560 -1.185 6.062 1.00 0.00 C ATOM 540 CD2 PHE A 38 7.561 0.946 6.416 1.00 0.00 C ATOM 541 CE1 PHE A 38 7.804 -1.737 5.829 1.00 0.00 C ATOM 542 CE2 PHE A 38 8.810 0.402 6.186 1.00 0.00 C ATOM 543 CZ PHE A 38 8.932 -0.941 5.891 1.00 0.00 C ATOM 0 H PHE A 38 5.343 2.988 5.328 1.00 0.00 H new ATOM 0 HA PHE A 38 4.317 0.321 4.665 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.167 1.619 7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.450 0.025 7.139 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.682 -1.812 6.013 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.472 1.998 6.645 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.895 -2.788 5.599 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.690 1.027 6.237 1.00 0.00 H new ATOM 0 HZ PHE A 38 9.907 -1.369 5.709 1.00 0.00 H new ATOM 553 N VAL A 39 2.089 0.655 5.918 1.00 0.00 N ATOM 554 CA VAL A 39 0.745 0.954 6.308 1.00 0.00 C ATOM 555 C VAL A 39 0.777 1.351 7.779 1.00 0.00 C ATOM 556 O VAL A 39 1.361 0.660 8.591 1.00 0.00 O ATOM 557 CB VAL A 39 -0.189 -0.263 6.074 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.628 0.061 6.459 1.00 0.00 C ATOM 559 CG2 VAL A 39 -0.116 -0.705 4.613 1.00 0.00 C ATOM 0 H VAL A 39 2.310 -0.340 5.873 1.00 0.00 H new ATOM 0 HA VAL A 39 0.346 1.770 5.705 1.00 0.00 H new ATOM 0 HB VAL A 39 0.151 -1.079 6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.257 -0.812 6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.670 0.332 7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.987 0.894 5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.775 -1.560 4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.429 0.116 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.908 -0.987 4.369 1.00 0.00 H new ATOM 569 N LYS A 40 0.210 2.475 8.111 1.00 0.00 N ATOM 570 CA LYS A 40 0.259 2.943 9.478 1.00 0.00 C ATOM 571 C LYS A 40 -0.947 2.460 10.244 1.00 0.00 C ATOM 572 O LYS A 40 -0.859 2.109 11.415 1.00 0.00 O ATOM 573 CB LYS A 40 0.374 4.479 9.541 1.00 0.00 C ATOM 574 CG LYS A 40 0.366 5.150 10.945 1.00 0.00 C ATOM 575 CD LYS A 40 1.625 4.908 11.824 1.00 0.00 C ATOM 576 CE LYS A 40 1.766 3.475 12.306 1.00 0.00 C ATOM 577 NZ LYS A 40 2.784 3.321 13.358 1.00 0.00 N ATOM 0 H LYS A 40 -0.290 3.085 7.464 1.00 0.00 H new ATOM 0 HA LYS A 40 1.152 2.528 9.945 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.297 4.767 9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.449 4.900 8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.242 6.225 10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.508 4.794 11.491 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.513 5.179 11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.587 5.571 12.688 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.804 3.128 12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.025 2.837 11.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.836 2.323 13.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.709 3.624 12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.527 3.906 14.178 1.00 0.00 H new ATOM 591 N THR A 41 -2.074 2.457 9.614 1.00 0.00 N ATOM 592 CA THR A 41 -3.289 2.019 10.251 1.00 0.00 C ATOM 593 C THR A 41 -4.247 1.668 9.152 1.00 0.00 C ATOM 594 O THR A 41 -4.063 2.101 8.007 1.00 0.00 O ATOM 595 CB THR A 41 -3.944 3.153 11.064 1.00 0.00 C ATOM 596 OG1 THR A 41 -2.938 3.981 11.679 1.00 0.00 O ATOM 597 CG2 THR A 41 -4.826 2.599 12.172 1.00 0.00 C ATOM 0 H THR A 41 -2.188 2.756 8.645 1.00 0.00 H new ATOM 0 HA THR A 41 -3.062 1.188 10.919 1.00 0.00 H new ATOM 0 HB THR A 41 -4.547 3.736 10.367 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.371 4.697 12.190 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.274 3.423 12.727 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.614 1.984 11.737 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.223 1.992 12.847 1.00 0.00 H new ATOM 605 N VAL A 42 -5.232 0.916 9.470 1.00 0.00 N ATOM 606 CA VAL A 42 -6.256 0.595 8.552 1.00 0.00 C ATOM 607 C VAL A 42 -7.540 1.178 9.158 1.00 0.00 C ATOM 608 O VAL A 42 -7.528 1.603 10.320 1.00 0.00 O ATOM 609 CB VAL A 42 -6.386 -0.959 8.339 1.00 0.00 C ATOM 610 CG1 VAL A 42 -7.322 -1.289 7.184 1.00 0.00 C ATOM 611 CG2 VAL A 42 -5.023 -1.605 8.106 1.00 0.00 C ATOM 0 H VAL A 42 -5.351 0.499 10.393 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.045 1.007 7.565 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.812 -1.369 9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.387 -2.371 7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.313 -0.886 7.392 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.936 -0.847 6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.149 -2.678 7.963 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.562 -1.172 7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.383 -1.427 8.970 1.00 0.00 H new ATOM 621 N THR A 43 -8.596 1.235 8.394 1.00 0.00 N ATOM 622 CA THR A 43 -9.876 1.734 8.852 1.00 0.00 C ATOM 623 C THR A 43 -10.491 0.748 9.889 1.00 0.00 C ATOM 624 O THR A 43 -9.886 -0.279 10.201 1.00 0.00 O ATOM 625 CB THR A 43 -10.821 1.909 7.626 1.00 0.00 C ATOM 626 OG1 THR A 43 -12.103 2.443 8.014 1.00 0.00 O ATOM 627 CG2 THR A 43 -11.004 0.578 6.901 1.00 0.00 C ATOM 0 H THR A 43 -8.598 0.933 7.420 1.00 0.00 H new ATOM 0 HA THR A 43 -9.745 2.700 9.340 1.00 0.00 H new ATOM 0 HB THR A 43 -10.353 2.624 6.949 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.670 2.542 7.221 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.667 0.717 6.047 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.036 0.217 6.554 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.440 -0.151 7.584 1.00 0.00 H new ATOM 635 N GLU A 44 -11.682 1.076 10.385 1.00 0.00 N ATOM 636 CA GLU A 44 -12.400 0.286 11.385 1.00 0.00 C ATOM 637 C GLU A 44 -12.504 -1.181 10.987 1.00 0.00 C ATOM 638 O GLU A 44 -11.972 -2.049 11.668 1.00 0.00 O ATOM 639 CB GLU A 44 -13.797 0.854 11.602 1.00 0.00 C ATOM 640 CG GLU A 44 -14.640 0.067 12.584 1.00 0.00 C ATOM 641 CD GLU A 44 -14.083 0.102 13.976 1.00 0.00 C ATOM 642 OE1 GLU A 44 -14.183 1.149 14.641 1.00 0.00 O ATOM 643 OE2 GLU A 44 -13.552 -0.925 14.450 1.00 0.00 O ATOM 0 H GLU A 44 -12.186 1.915 10.098 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.829 0.344 12.312 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.709 1.881 11.957 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -14.315 0.891 10.644 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.653 0.469 12.591 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.710 -0.968 12.250 1.00 0.00 H new ATOM 650 N GLY A 45 -13.192 -1.464 9.917 1.00 0.00 N ATOM 651 CA GLY A 45 -13.294 -2.819 9.526 1.00 0.00 C ATOM 652 C GLY A 45 -14.293 -3.055 8.458 1.00 0.00 C ATOM 653 O GLY A 45 -15.186 -3.881 8.617 1.00 0.00 O ATOM 0 H GLY A 45 -13.673 -0.789 9.323 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.319 -3.164 9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.556 -3.421 10.396 1.00 0.00 H new ATOM 657 N GLY A 46 -14.181 -2.309 7.388 1.00 0.00 N ATOM 658 CA GLY A 46 -14.954 -2.588 6.245 1.00 0.00 C ATOM 659 C GLY A 46 -14.210 -3.577 5.402 1.00 0.00 C ATOM 660 O GLY A 46 -13.371 -4.315 5.920 1.00 0.00 O ATOM 0 H GLY A 46 -13.556 -1.507 7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.925 -2.990 6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.141 -1.674 5.681 1.00 0.00 H new ATOM 664 N ALA A 47 -14.390 -3.505 4.128 1.00 0.00 N ATOM 665 CA ALA A 47 -13.869 -4.498 3.175 1.00 0.00 C ATOM 666 C ALA A 47 -12.338 -4.689 3.196 1.00 0.00 C ATOM 667 O ALA A 47 -11.849 -5.653 2.669 1.00 0.00 O ATOM 668 CB ALA A 47 -14.359 -4.202 1.773 1.00 0.00 C ATOM 0 H ALA A 47 -14.911 -2.749 3.683 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.271 -5.453 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.962 -4.948 1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.448 -4.233 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.019 -3.211 1.470 1.00 0.00 H new ATOM 674 N ALA A 48 -11.596 -3.782 3.826 1.00 0.00 N ATOM 675 CA ALA A 48 -10.138 -3.922 3.901 1.00 0.00 C ATOM 676 C ALA A 48 -9.792 -4.935 4.974 1.00 0.00 C ATOM 677 O ALA A 48 -9.227 -5.972 4.694 1.00 0.00 O ATOM 678 CB ALA A 48 -9.470 -2.588 4.198 1.00 0.00 C ATOM 0 H ALA A 48 -11.970 -2.952 4.287 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.768 -4.267 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.390 -2.725 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.710 -1.877 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.831 -2.205 5.152 1.00 0.00 H new ATOM 684 N GLN A 49 -10.152 -4.630 6.214 1.00 0.00 N ATOM 685 CA GLN A 49 -9.938 -5.574 7.301 1.00 0.00 C ATOM 686 C GLN A 49 -10.903 -6.767 7.251 1.00 0.00 C ATOM 687 O GLN A 49 -10.705 -7.755 7.942 1.00 0.00 O ATOM 688 CB GLN A 49 -9.927 -4.870 8.654 1.00 0.00 C ATOM 689 CG GLN A 49 -8.693 -4.002 8.813 1.00 0.00 C ATOM 690 CD GLN A 49 -8.499 -3.411 10.196 1.00 0.00 C ATOM 691 OE1 GLN A 49 -7.368 -3.192 10.636 1.00 0.00 O ATOM 692 NE2 GLN A 49 -9.553 -3.117 10.873 1.00 0.00 N ATOM 0 H GLN A 49 -10.587 -3.749 6.489 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.946 -6.004 7.162 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.822 -4.256 8.754 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.958 -5.611 9.452 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.814 -4.596 8.562 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.744 -3.188 8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.477 -3.308 10.486 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.464 -2.693 11.796 1.00 0.00 H new ATOM 701 N ARG A 50 -11.953 -6.663 6.444 1.00 0.00 N ATOM 702 CA ARG A 50 -12.829 -7.799 6.203 1.00 0.00 C ATOM 703 C ARG A 50 -12.224 -8.708 5.166 1.00 0.00 C ATOM 704 O ARG A 50 -12.539 -9.894 5.130 1.00 0.00 O ATOM 705 CB ARG A 50 -14.225 -7.384 5.752 1.00 0.00 C ATOM 706 CG ARG A 50 -15.066 -6.748 6.829 1.00 0.00 C ATOM 707 CD ARG A 50 -15.355 -7.701 7.961 1.00 0.00 C ATOM 708 NE ARG A 50 -16.208 -7.088 8.971 1.00 0.00 N ATOM 709 CZ ARG A 50 -16.145 -7.339 10.274 1.00 0.00 C ATOM 710 NH1 ARG A 50 -15.220 -8.168 10.753 1.00 0.00 N ATOM 711 NH2 ARG A 50 -17.012 -6.772 11.099 1.00 0.00 N ATOM 0 H ARG A 50 -12.215 -5.810 5.950 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.932 -8.321 7.154 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.132 -6.685 4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.747 -8.263 5.372 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.552 -5.869 7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.006 -6.403 6.398 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.838 -8.596 7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.418 -8.019 8.419 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.906 -6.415 8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.556 -8.613 10.119 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.175 -8.358 11.754 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.727 -6.143 10.734 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.964 -6.964 12.100 1.00 0.00 H new ATOM 725 N ASP A 51 -11.383 -8.132 4.290 1.00 0.00 N ATOM 726 CA ASP A 51 -10.689 -8.926 3.261 1.00 0.00 C ATOM 727 C ASP A 51 -9.908 -10.076 3.881 1.00 0.00 C ATOM 728 O ASP A 51 -10.126 -11.239 3.543 1.00 0.00 O ATOM 729 CB ASP A 51 -9.763 -8.058 2.423 1.00 0.00 C ATOM 730 CG ASP A 51 -9.020 -8.840 1.377 1.00 0.00 C ATOM 731 OD1 ASP A 51 -9.596 -9.107 0.295 1.00 0.00 O ATOM 732 OD2 ASP A 51 -7.845 -9.200 1.613 1.00 0.00 O ATOM 0 H ASP A 51 -11.169 -7.135 4.273 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.456 -9.343 2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.346 -7.275 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.046 -7.563 3.077 1.00 0.00 H new ATOM 737 N GLY A 52 -9.004 -9.752 4.778 1.00 0.00 N ATOM 738 CA GLY A 52 -8.287 -10.781 5.491 1.00 0.00 C ATOM 739 C GLY A 52 -6.871 -11.015 4.996 1.00 0.00 C ATOM 740 O GLY A 52 -6.100 -11.735 5.648 1.00 0.00 O ATOM 0 H GLY A 52 -8.751 -8.796 5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.251 -10.516 6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.845 -11.715 5.415 1.00 0.00 H new ATOM 744 N ARG A 53 -6.521 -10.483 3.839 1.00 0.00 N ATOM 745 CA ARG A 53 -5.164 -10.619 3.354 1.00 0.00 C ATOM 746 C ARG A 53 -4.382 -9.413 3.779 1.00 0.00 C ATOM 747 O ARG A 53 -3.432 -9.542 4.538 1.00 0.00 O ATOM 748 CB ARG A 53 -5.155 -10.803 1.825 1.00 0.00 C ATOM 749 CG ARG A 53 -3.840 -11.305 1.173 1.00 0.00 C ATOM 750 CD ARG A 53 -2.724 -10.254 1.058 1.00 0.00 C ATOM 751 NE ARG A 53 -1.742 -10.260 2.160 1.00 0.00 N ATOM 752 CZ ARG A 53 -1.113 -9.165 2.644 1.00 0.00 C ATOM 753 NH1 ARG A 53 -1.423 -7.964 2.177 1.00 0.00 N ATOM 754 NH2 ARG A 53 -0.179 -9.277 3.593 1.00 0.00 N ATOM 0 H ARG A 53 -7.148 -9.961 3.227 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.697 -11.507 3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.948 -11.504 1.566 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.413 -9.847 1.369 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.465 -12.148 1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.068 -11.680 0.175 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.194 -10.411 0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.181 -9.266 1.005 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.521 -11.159 2.589 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.135 -7.866 1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.949 -7.137 2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.067 -10.196 3.961 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.288 -8.443 3.950 1.00 0.00 H new ATOM 768 N ILE A 54 -4.823 -8.236 3.341 1.00 0.00 N ATOM 769 CA ILE A 54 -4.090 -7.000 3.614 1.00 0.00 C ATOM 770 C ILE A 54 -4.058 -6.710 5.124 1.00 0.00 C ATOM 771 O ILE A 54 -5.023 -7.012 5.852 1.00 0.00 O ATOM 772 CB ILE A 54 -4.669 -5.780 2.823 1.00 0.00 C ATOM 773 CG1 ILE A 54 -3.643 -4.625 2.783 1.00 0.00 C ATOM 774 CG2 ILE A 54 -5.972 -5.299 3.475 1.00 0.00 C ATOM 775 CD1 ILE A 54 -4.013 -3.492 1.845 1.00 0.00 C ATOM 0 H ILE A 54 -5.678 -8.111 2.799 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.068 -7.148 3.266 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.878 -6.098 1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.526 -4.224 3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.674 -5.026 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.366 -4.450 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.702 -6.108 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.774 -4.997 4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.240 -2.725 1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.100 -3.875 0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.965 -3.061 2.153 1.00 0.00 H new ATOM 787 N GLN A 55 -2.966 -6.181 5.587 1.00 0.00 N ATOM 788 CA GLN A 55 -2.801 -5.896 6.981 1.00 0.00 C ATOM 789 C GLN A 55 -2.034 -4.595 7.202 1.00 0.00 C ATOM 790 O GLN A 55 -1.486 -4.018 6.269 1.00 0.00 O ATOM 791 CB GLN A 55 -2.103 -7.066 7.679 1.00 0.00 C ATOM 792 CG GLN A 55 -0.911 -7.571 6.896 1.00 0.00 C ATOM 793 CD GLN A 55 -0.092 -8.598 7.605 1.00 0.00 C ATOM 794 OE1 GLN A 55 -0.580 -9.364 8.442 1.00 0.00 O ATOM 795 NE2 GLN A 55 1.154 -8.649 7.252 1.00 0.00 N ATOM 0 H GLN A 55 -2.163 -5.934 5.009 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.791 -5.766 7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.777 -6.753 8.671 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.814 -7.880 7.819 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.263 -7.993 5.955 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.272 -6.724 6.646 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.514 -7.996 6.556 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.775 -9.342 7.670 1.00 0.00 H new ATOM 804 N VAL A 56 -1.959 -4.167 8.458 1.00 0.00 N ATOM 805 CA VAL A 56 -1.298 -2.908 8.834 1.00 0.00 C ATOM 806 C VAL A 56 0.228 -3.075 8.814 1.00 0.00 C ATOM 807 O VAL A 56 0.980 -2.125 8.924 1.00 0.00 O ATOM 808 CB VAL A 56 -1.744 -2.450 10.263 1.00 0.00 C ATOM 809 CG1 VAL A 56 -1.056 -3.252 11.373 1.00 0.00 C ATOM 810 CG2 VAL A 56 -1.552 -0.964 10.458 1.00 0.00 C ATOM 0 H VAL A 56 -2.352 -4.678 9.248 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.591 -2.150 8.108 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.811 -2.658 10.337 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.399 -2.896 12.345 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.303 -4.308 11.265 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.024 -3.123 11.300 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.873 -0.684 11.462 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.499 -0.713 10.331 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.146 -0.421 9.723 1.00 0.00 H new ATOM 820 N ASN A 57 0.663 -4.292 8.672 1.00 0.00 N ATOM 821 CA ASN A 57 2.077 -4.596 8.721 1.00 0.00 C ATOM 822 C ASN A 57 2.676 -4.563 7.313 1.00 0.00 C ATOM 823 O ASN A 57 3.886 -4.697 7.123 1.00 0.00 O ATOM 824 CB ASN A 57 2.278 -5.969 9.398 1.00 0.00 C ATOM 825 CG ASN A 57 3.732 -6.345 9.639 1.00 0.00 C ATOM 826 OD1 ASN A 57 4.373 -6.983 8.812 1.00 0.00 O ATOM 827 ND2 ASN A 57 4.259 -5.954 10.766 1.00 0.00 N ATOM 0 H ASN A 57 0.060 -5.101 8.520 1.00 0.00 H new ATOM 0 HA ASN A 57 2.599 -3.843 9.311 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.752 -5.970 10.353 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.815 -6.737 8.778 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.231 -6.178 10.979 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.699 -5.424 11.434 1.00 0.00 H new ATOM 834 N ASP A 58 1.830 -4.332 6.336 1.00 0.00 N ATOM 835 CA ASP A 58 2.257 -4.357 4.951 1.00 0.00 C ATOM 836 C ASP A 58 2.897 -3.049 4.521 1.00 0.00 C ATOM 837 O ASP A 58 2.918 -2.050 5.263 1.00 0.00 O ATOM 838 CB ASP A 58 1.105 -4.654 3.991 1.00 0.00 C ATOM 839 CG ASP A 58 0.478 -6.026 4.123 1.00 0.00 C ATOM 840 OD1 ASP A 58 1.188 -7.032 4.382 1.00 0.00 O ATOM 841 OD2 ASP A 58 -0.751 -6.128 3.951 1.00 0.00 O ATOM 0 H ASP A 58 0.841 -4.124 6.472 1.00 0.00 H new ATOM 0 HA ASP A 58 2.992 -5.160 4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.329 -3.904 4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.468 -4.537 2.970 1.00 0.00 H new ATOM 846 N GLN A 59 3.392 -3.061 3.309 1.00 0.00 N ATOM 847 CA GLN A 59 4.009 -1.930 2.686 1.00 0.00 C ATOM 848 C GLN A 59 3.369 -1.720 1.330 1.00 0.00 C ATOM 849 O GLN A 59 3.315 -2.644 0.523 1.00 0.00 O ATOM 850 CB GLN A 59 5.519 -2.164 2.546 1.00 0.00 C ATOM 851 CG GLN A 59 6.218 -1.118 1.704 1.00 0.00 C ATOM 852 CD GLN A 59 7.717 -1.234 1.691 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.294 -1.925 0.866 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.356 -0.526 2.576 1.00 0.00 N ATOM 0 H GLN A 59 3.373 -3.889 2.714 1.00 0.00 H new ATOM 0 HA GLN A 59 3.865 -1.039 3.297 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.969 -2.180 3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.687 -3.146 2.104 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.851 -1.188 0.680 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.945 -0.129 2.073 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.837 0.039 3.249 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.376 -0.536 2.597 1.00 0.00 H new ATOM 863 N ILE A 60 2.871 -0.526 1.086 1.00 0.00 N ATOM 864 CA ILE A 60 2.209 -0.229 -0.171 1.00 0.00 C ATOM 865 C ILE A 60 3.263 -0.028 -1.252 1.00 0.00 C ATOM 866 O ILE A 60 3.912 0.998 -1.290 1.00 0.00 O ATOM 867 CB ILE A 60 1.369 1.071 -0.102 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.330 1.031 1.034 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.680 1.287 -1.432 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.666 -0.111 0.944 1.00 0.00 C ATOM 0 H ILE A 60 2.911 0.256 1.740 1.00 0.00 H new ATOM 0 HA ILE A 60 1.547 -1.067 -0.391 1.00 0.00 H new ATOM 0 HB ILE A 60 2.044 1.900 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.856 0.962 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.218 1.973 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.087 2.201 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.429 1.376 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.028 0.440 -1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.357 -0.058 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.224 -0.035 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.133 -1.062 0.972 1.00 0.00 H new ATOM 882 N VAL A 61 3.424 -0.992 -2.109 1.00 0.00 N ATOM 883 CA VAL A 61 4.457 -0.918 -3.125 1.00 0.00 C ATOM 884 C VAL A 61 3.942 -0.186 -4.376 1.00 0.00 C ATOM 885 O VAL A 61 4.575 0.741 -4.897 1.00 0.00 O ATOM 886 CB VAL A 61 4.986 -2.342 -3.451 1.00 0.00 C ATOM 887 CG1 VAL A 61 6.026 -2.357 -4.542 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.520 -3.010 -2.196 1.00 0.00 C ATOM 0 H VAL A 61 2.860 -1.841 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 61 5.295 -0.335 -2.742 1.00 0.00 H new ATOM 0 HB VAL A 61 4.135 -2.908 -3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.352 -3.382 -4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.599 -1.949 -5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.880 -1.752 -4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.887 -4.007 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.336 -2.414 -1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.722 -3.089 -1.458 1.00 0.00 H new ATOM 898 N GLU A 62 2.793 -0.573 -4.821 1.00 0.00 N ATOM 899 CA GLU A 62 2.167 0.027 -5.961 1.00 0.00 C ATOM 900 C GLU A 62 0.676 -0.112 -5.803 1.00 0.00 C ATOM 901 O GLU A 62 0.181 -1.198 -5.563 1.00 0.00 O ATOM 902 CB GLU A 62 2.595 -0.689 -7.238 1.00 0.00 C ATOM 903 CG GLU A 62 1.962 -0.126 -8.486 1.00 0.00 C ATOM 904 CD GLU A 62 2.282 -0.939 -9.686 1.00 0.00 C ATOM 905 OE1 GLU A 62 3.375 -0.767 -10.267 1.00 0.00 O ATOM 906 OE2 GLU A 62 1.466 -1.783 -10.055 1.00 0.00 O ATOM 0 H GLU A 62 2.251 -1.327 -4.399 1.00 0.00 H new ATOM 0 HA GLU A 62 2.458 1.075 -6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.679 -0.630 -7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.339 -1.745 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.881 -0.081 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.307 0.897 -8.638 1.00 0.00 H new ATOM 913 N VAL A 63 -0.026 0.967 -5.884 1.00 0.00 N ATOM 914 CA VAL A 63 -1.460 0.926 -5.832 1.00 0.00 C ATOM 915 C VAL A 63 -2.036 1.393 -7.128 1.00 0.00 C ATOM 916 O VAL A 63 -1.583 2.387 -7.681 1.00 0.00 O ATOM 917 CB VAL A 63 -2.040 1.710 -4.617 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.471 2.173 -4.870 1.00 0.00 C ATOM 919 CG2 VAL A 63 -2.037 0.799 -3.428 1.00 0.00 C ATOM 0 H VAL A 63 0.369 1.902 -5.988 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.756 -0.112 -5.679 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.423 2.593 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.837 2.715 -3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.493 2.828 -5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.107 1.307 -5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.440 1.327 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.653 -0.075 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.016 0.481 -3.216 1.00 0.00 H new ATOM 929 N ASP A 64 -2.919 0.572 -7.671 1.00 0.00 N ATOM 930 CA ASP A 64 -3.726 0.862 -8.884 1.00 0.00 C ATOM 931 C ASP A 64 -2.896 0.816 -10.170 1.00 0.00 C ATOM 932 O ASP A 64 -3.422 0.761 -11.286 1.00 0.00 O ATOM 933 CB ASP A 64 -4.510 2.191 -8.742 1.00 0.00 C ATOM 934 CG ASP A 64 -5.527 2.431 -9.845 1.00 0.00 C ATOM 935 OD1 ASP A 64 -6.658 1.897 -9.752 1.00 0.00 O ATOM 936 OD2 ASP A 64 -5.240 3.160 -10.800 1.00 0.00 O ATOM 0 H ASP A 64 -3.114 -0.350 -7.280 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.460 0.061 -8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.024 2.196 -7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.801 3.019 -8.729 1.00 0.00 H new ATOM 941 N GLY A 65 -1.623 0.722 -9.985 1.00 0.00 N ATOM 942 CA GLY A 65 -0.681 0.772 -11.061 1.00 0.00 C ATOM 943 C GLY A 65 -0.027 2.133 -11.138 1.00 0.00 C ATOM 944 O GLY A 65 0.672 2.441 -12.089 1.00 0.00 O ATOM 0 H GLY A 65 -1.196 0.606 -9.066 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.080 0.005 -10.920 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.185 0.552 -12.002 1.00 0.00 H new ATOM 948 N ILE A 66 -0.235 2.948 -10.092 1.00 0.00 N ATOM 949 CA ILE A 66 0.290 4.310 -10.048 1.00 0.00 C ATOM 950 C ILE A 66 1.820 4.316 -9.872 1.00 0.00 C ATOM 951 O ILE A 66 2.490 5.284 -10.229 1.00 0.00 O ATOM 952 CB ILE A 66 -0.388 5.139 -8.904 1.00 0.00 C ATOM 953 CG1 ILE A 66 -0.384 6.617 -9.284 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.346 4.935 -7.568 1.00 0.00 C ATOM 955 CD1 ILE A 66 -1.121 7.503 -8.320 1.00 0.00 C ATOM 0 H ILE A 66 -0.767 2.680 -9.264 1.00 0.00 H new ATOM 0 HA ILE A 66 0.054 4.779 -11.003 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.414 4.794 -8.780 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.648 6.959 -9.358 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.828 6.727 -10.273 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.144 5.521 -6.790 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.321 3.880 -7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.382 5.260 -7.669 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.070 8.536 -8.663 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.164 7.191 -8.263 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.665 7.426 -7.333 1.00 0.00 H new ATOM 967 N SER A 67 2.345 3.197 -9.358 1.00 0.00 N ATOM 968 CA SER A 67 3.767 2.997 -9.050 1.00 0.00 C ATOM 969 C SER A 67 4.340 4.134 -8.198 1.00 0.00 C ATOM 970 O SER A 67 4.858 5.119 -8.705 1.00 0.00 O ATOM 971 CB SER A 67 4.599 2.720 -10.325 1.00 0.00 C ATOM 972 OG SER A 67 4.440 3.758 -11.299 1.00 0.00 O ATOM 0 H SER A 67 1.775 2.380 -9.138 1.00 0.00 H new ATOM 0 HA SER A 67 3.840 2.099 -8.437 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.652 2.629 -10.059 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.296 1.766 -10.757 1.00 0.00 H new ATOM 0 HG SER A 67 4.028 4.541 -10.878 1.00 0.00 H new ATOM 978 N LEU A 68 4.231 3.984 -6.909 1.00 0.00 N ATOM 979 CA LEU A 68 4.643 5.021 -5.978 1.00 0.00 C ATOM 980 C LEU A 68 6.017 4.688 -5.403 1.00 0.00 C ATOM 981 O LEU A 68 6.441 5.207 -4.372 1.00 0.00 O ATOM 982 CB LEU A 68 3.592 5.138 -4.886 1.00 0.00 C ATOM 983 CG LEU A 68 3.351 3.881 -4.081 1.00 0.00 C ATOM 984 CD1 LEU A 68 3.901 4.015 -2.675 1.00 0.00 C ATOM 985 CD2 LEU A 68 1.892 3.532 -4.093 1.00 0.00 C ATOM 0 H LEU A 68 3.856 3.146 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 68 4.727 5.981 -6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.888 5.935 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.650 5.443 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 68 3.891 3.056 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.712 3.095 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.975 4.198 -2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.412 4.849 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.730 2.625 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.319 4.350 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.566 3.367 -5.120 1.00 0.00 H new ATOM 997 N VAL A 69 6.686 3.814 -6.080 1.00 0.00 N ATOM 998 CA VAL A 69 8.026 3.391 -5.720 1.00 0.00 C ATOM 999 C VAL A 69 9.010 4.576 -5.736 1.00 0.00 C ATOM 1000 O VAL A 69 9.461 5.004 -6.786 1.00 0.00 O ATOM 1001 CB VAL A 69 8.542 2.250 -6.645 1.00 0.00 C ATOM 1002 CG1 VAL A 69 9.895 1.734 -6.173 1.00 0.00 C ATOM 1003 CG2 VAL A 69 7.530 1.108 -6.731 1.00 0.00 C ATOM 0 H VAL A 69 6.322 3.357 -6.916 1.00 0.00 H new ATOM 0 HA VAL A 69 7.971 3.000 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 69 8.666 2.666 -7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.232 0.938 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.620 2.548 -6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.803 1.346 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.918 0.326 -7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.359 0.698 -5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.590 1.484 -7.135 1.00 0.00 H new ATOM 1013 N GLY A 70 9.271 5.124 -4.560 1.00 0.00 N ATOM 1014 CA GLY A 70 10.217 6.210 -4.422 1.00 0.00 C ATOM 1015 C GLY A 70 9.552 7.517 -4.018 1.00 0.00 C ATOM 1016 O GLY A 70 10.187 8.582 -4.030 1.00 0.00 O ATOM 0 H GLY A 70 8.836 4.830 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.966 5.942 -3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.743 6.351 -5.366 1.00 0.00 H new ATOM 1020 N VAL A 71 8.284 7.454 -3.661 1.00 0.00 N ATOM 1021 CA VAL A 71 7.568 8.655 -3.273 1.00 0.00 C ATOM 1022 C VAL A 71 7.567 8.840 -1.761 1.00 0.00 C ATOM 1023 O VAL A 71 8.019 7.964 -1.012 1.00 0.00 O ATOM 1024 CB VAL A 71 6.108 8.658 -3.779 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.051 8.392 -5.274 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.241 7.670 -2.994 1.00 0.00 C ATOM 0 H VAL A 71 7.733 6.596 -3.631 1.00 0.00 H new ATOM 0 HA VAL A 71 8.100 9.483 -3.741 1.00 0.00 H new ATOM 0 HB VAL A 71 5.696 9.652 -3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.013 8.399 -5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.606 9.167 -5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.493 7.419 -5.488 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.221 7.698 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.643 6.663 -3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.241 7.944 -1.939 1.00 0.00 H new ATOM 1036 N THR A 72 7.047 9.956 -1.328 1.00 0.00 N ATOM 1037 CA THR A 72 6.922 10.266 0.061 1.00 0.00 C ATOM 1038 C THR A 72 5.563 9.892 0.562 1.00 0.00 C ATOM 1039 O THR A 72 4.668 9.484 -0.219 1.00 0.00 O ATOM 1040 CB THR A 72 7.150 11.758 0.301 1.00 0.00 C ATOM 1041 OG1 THR A 72 6.500 12.483 -0.765 1.00 0.00 O ATOM 1042 CG2 THR A 72 8.635 12.086 0.329 1.00 0.00 C ATOM 0 H THR A 72 6.693 10.686 -1.946 1.00 0.00 H new ATOM 0 HA THR A 72 7.677 9.694 0.601 1.00 0.00 H new ATOM 0 HB THR A 72 6.735 12.043 1.268 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.981 13.320 -0.932 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.769 13.154 0.501 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.116 11.526 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.086 11.813 -0.625 1.00 0.00 H new ATOM 1050 N GLN A 73 5.394 10.055 1.843 1.00 0.00 N ATOM 1051 CA GLN A 73 4.178 9.746 2.520 1.00 0.00 C ATOM 1052 C GLN A 73 3.004 10.547 1.962 1.00 0.00 C ATOM 1053 O GLN A 73 1.922 10.040 1.849 1.00 0.00 O ATOM 1054 CB GLN A 73 4.341 9.937 4.050 1.00 0.00 C ATOM 1055 CG GLN A 73 4.335 11.352 4.593 1.00 0.00 C ATOM 1056 CD GLN A 73 5.382 12.236 3.964 1.00 0.00 C ATOM 1057 OE1 GLN A 73 5.118 12.963 3.024 1.00 0.00 O ATOM 1058 NE2 GLN A 73 6.569 12.077 4.355 1.00 0.00 N ATOM 0 H GLN A 73 6.122 10.417 2.458 1.00 0.00 H new ATOM 0 HA GLN A 73 3.948 8.695 2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.540 9.386 4.543 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.279 9.469 4.347 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.351 11.792 4.429 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.495 11.321 5.671 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.768 11.463 5.145 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.331 12.562 3.882 1.00 0.00 H new ATOM 1067 N ASN A 74 3.262 11.766 1.548 1.00 0.00 N ATOM 1068 CA ASN A 74 2.225 12.637 1.052 1.00 0.00 C ATOM 1069 C ASN A 74 1.713 12.176 -0.296 1.00 0.00 C ATOM 1070 O ASN A 74 0.505 12.238 -0.561 1.00 0.00 O ATOM 1071 CB ASN A 74 2.659 14.120 1.023 1.00 0.00 C ATOM 1072 CG ASN A 74 3.832 14.415 0.113 1.00 0.00 C ATOM 1073 OD1 ASN A 74 3.661 14.668 -1.079 1.00 0.00 O ATOM 1074 ND2 ASN A 74 5.009 14.432 0.661 1.00 0.00 N ATOM 0 H ASN A 74 4.194 12.180 1.546 1.00 0.00 H new ATOM 0 HA ASN A 74 1.398 12.573 1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.810 14.727 0.709 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.915 14.430 2.036 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.830 14.660 0.100 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.113 14.217 1.653 1.00 0.00 H new ATOM 1081 N PHE A 75 2.606 11.666 -1.133 1.00 0.00 N ATOM 1082 CA PHE A 75 2.193 11.160 -2.419 1.00 0.00 C ATOM 1083 C PHE A 75 1.418 9.884 -2.197 1.00 0.00 C ATOM 1084 O PHE A 75 0.304 9.731 -2.697 1.00 0.00 O ATOM 1085 CB PHE A 75 3.385 10.883 -3.337 1.00 0.00 C ATOM 1086 CG PHE A 75 3.001 10.479 -4.764 1.00 0.00 C ATOM 1087 CD1 PHE A 75 2.616 9.167 -5.076 1.00 0.00 C ATOM 1088 CD2 PHE A 75 3.031 11.413 -5.785 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.275 8.814 -6.367 1.00 0.00 C ATOM 1090 CE2 PHE A 75 2.692 11.060 -7.079 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.316 9.760 -7.371 1.00 0.00 C ATOM 0 H PHE A 75 3.605 11.595 -0.942 1.00 0.00 H new ATOM 0 HA PHE A 75 1.577 11.914 -2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.010 11.775 -3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.990 10.090 -2.898 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.586 8.422 -4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.323 12.430 -5.569 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.977 7.800 -6.590 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.721 11.801 -7.864 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.055 9.487 -8.383 1.00 0.00 H new ATOM 1101 N ALA A 76 1.996 8.990 -1.395 1.00 0.00 N ATOM 1102 CA ALA A 76 1.376 7.718 -1.114 1.00 0.00 C ATOM 1103 C ALA A 76 0.015 7.897 -0.451 1.00 0.00 C ATOM 1104 O ALA A 76 -0.950 7.282 -0.871 1.00 0.00 O ATOM 1105 CB ALA A 76 2.287 6.853 -0.281 1.00 0.00 C ATOM 0 H ALA A 76 2.894 9.134 -0.933 1.00 0.00 H new ATOM 0 HA ALA A 76 1.207 7.209 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.800 5.899 -0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.218 6.679 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.503 7.355 0.662 1.00 0.00 H new ATOM 1111 N ALA A 77 -0.068 8.787 0.535 1.00 0.00 N ATOM 1112 CA ALA A 77 -1.323 9.084 1.230 1.00 0.00 C ATOM 1113 C ALA A 77 -2.391 9.483 0.237 1.00 0.00 C ATOM 1114 O ALA A 77 -3.519 9.017 0.313 1.00 0.00 O ATOM 1115 CB ALA A 77 -1.125 10.197 2.239 1.00 0.00 C ATOM 0 H ALA A 77 0.730 9.323 0.876 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.641 8.184 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.069 10.402 2.744 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.379 9.894 2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.785 11.097 1.726 1.00 0.00 H new ATOM 1121 N THR A 78 -2.003 10.310 -0.711 1.00 0.00 N ATOM 1122 CA THR A 78 -2.869 10.767 -1.769 1.00 0.00 C ATOM 1123 C THR A 78 -3.366 9.584 -2.626 1.00 0.00 C ATOM 1124 O THR A 78 -4.545 9.521 -2.983 1.00 0.00 O ATOM 1125 CB THR A 78 -2.116 11.788 -2.639 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.754 12.937 -1.849 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.918 12.208 -3.855 1.00 0.00 C ATOM 0 H THR A 78 -1.058 10.689 -0.766 1.00 0.00 H new ATOM 0 HA THR A 78 -3.744 11.245 -1.328 1.00 0.00 H new ATOM 0 HB THR A 78 -1.211 11.304 -3.007 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.980 12.719 -1.290 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.345 12.929 -4.438 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.132 11.333 -4.469 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.855 12.664 -3.534 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.481 8.652 -2.927 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.834 7.458 -3.697 1.00 0.00 C ATOM 1137 C VAL A 79 -3.856 6.619 -2.935 1.00 0.00 C ATOM 1138 O VAL A 79 -4.927 6.319 -3.453 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.610 6.575 -4.015 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -2.015 5.386 -4.881 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -0.540 7.391 -4.693 1.00 0.00 C ATOM 0 H VAL A 79 -1.500 8.694 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.254 7.811 -4.639 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.207 6.189 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.138 4.776 -5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.755 4.786 -4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.442 5.746 -5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.318 6.756 -4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.932 7.804 -5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.231 8.204 -4.036 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.543 6.316 -1.677 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.428 5.521 -0.802 1.00 0.00 C ATOM 1153 C LEU A 80 -5.714 6.292 -0.443 1.00 0.00 C ATOM 1154 O LEU A 80 -6.599 5.776 0.216 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.704 5.048 0.493 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.613 3.936 0.375 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -3.135 2.707 -0.322 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.351 4.416 -0.294 1.00 0.00 C ATOM 0 H LEU A 80 -2.675 6.609 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.706 4.634 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.239 5.921 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.465 4.693 1.187 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.357 3.671 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.344 1.959 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.976 2.300 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.463 2.971 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.633 3.598 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.582 4.760 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.924 5.238 0.281 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.772 7.529 -0.860 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.927 8.387 -0.687 1.00 0.00 C ATOM 1172 C ARG A 81 -7.730 8.504 -2.005 1.00 0.00 C ATOM 1173 O ARG A 81 -8.926 8.793 -2.001 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.461 9.752 -0.139 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.485 10.864 -0.141 1.00 0.00 C ATOM 1176 CD ARG A 81 -7.191 11.854 -1.259 1.00 0.00 C ATOM 1177 NE ARG A 81 -5.958 12.617 -1.024 1.00 0.00 N ATOM 1178 CZ ARG A 81 -5.610 13.718 -1.707 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -6.433 14.222 -2.626 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -4.449 14.317 -1.462 1.00 0.00 N ATOM 0 H ARG A 81 -4.999 7.986 -1.343 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.612 7.952 0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.115 9.609 0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.601 10.079 -0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.484 10.447 -0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.475 11.378 0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.107 11.316 -2.203 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.029 12.544 -1.358 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.325 12.288 -0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.329 13.771 -2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.167 15.059 -3.145 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.820 13.940 -0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.187 15.154 -1.983 1.00 0.00 H new ATOM 1194 N ASN A 82 -7.073 8.246 -3.116 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.723 8.283 -4.441 1.00 0.00 C ATOM 1196 C ASN A 82 -8.283 6.941 -4.821 1.00 0.00 C ATOM 1197 O ASN A 82 -8.832 6.763 -5.907 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.763 8.764 -5.523 1.00 0.00 C ATOM 1199 CG ASN A 82 -6.800 10.255 -5.684 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -7.540 10.783 -6.516 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -6.040 10.947 -4.899 1.00 0.00 N ATOM 0 H ASN A 82 -6.082 8.005 -3.144 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.546 8.994 -4.364 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.749 8.451 -5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.018 8.290 -6.471 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.040 11.965 -4.956 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.441 10.474 -4.222 1.00 0.00 H new ATOM 1208 N THR A 83 -8.121 6.004 -3.936 1.00 0.00 N ATOM 1209 CA THR A 83 -8.611 4.666 -4.102 1.00 0.00 C ATOM 1210 C THR A 83 -10.140 4.605 -4.225 1.00 0.00 C ATOM 1211 O THR A 83 -10.865 5.485 -3.730 1.00 0.00 O ATOM 1212 CB THR A 83 -8.166 3.842 -2.913 1.00 0.00 C ATOM 1213 OG1 THR A 83 -8.435 4.611 -1.726 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.681 3.522 -3.010 1.00 0.00 C ATOM 0 H THR A 83 -7.631 6.152 -3.054 1.00 0.00 H new ATOM 0 HA THR A 83 -8.203 4.271 -5.032 1.00 0.00 H new ATOM 0 HB THR A 83 -8.705 2.895 -2.886 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.606 4.729 -1.217 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.379 2.929 -2.147 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.489 2.958 -3.923 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.109 4.450 -3.030 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.591 3.563 -4.855 1.00 0.00 N ATOM 1223 CA LYS A 84 -11.985 3.287 -5.080 1.00 0.00 C ATOM 1224 C LYS A 84 -12.235 1.814 -4.776 1.00 0.00 C ATOM 1225 O LYS A 84 -11.498 1.247 -3.992 1.00 0.00 O ATOM 1226 CB LYS A 84 -12.403 3.719 -6.525 1.00 0.00 C ATOM 1227 CG LYS A 84 -11.390 3.457 -7.658 1.00 0.00 C ATOM 1228 CD LYS A 84 -11.155 1.985 -7.965 1.00 0.00 C ATOM 1229 CE LYS A 84 -10.116 1.810 -9.078 1.00 0.00 C ATOM 1230 NZ LYS A 84 -10.561 2.362 -10.382 1.00 0.00 N ATOM 0 H LYS A 84 -9.975 2.849 -5.244 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.617 3.873 -4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.331 3.206 -6.776 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.623 4.786 -6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.740 3.953 -8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.438 3.916 -7.391 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.817 1.472 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.094 1.519 -8.264 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.188 2.299 -8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.894 0.749 -9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.889 2.082 -11.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.506 1.992 -10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.600 3.400 -10.324 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.287 1.246 -5.326 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.591 -0.168 -5.147 1.00 0.00 C ATOM 1246 C GLY A 85 -12.429 -1.114 -5.459 1.00 0.00 C ATOM 1247 O GLY A 85 -11.723 -1.540 -4.558 1.00 0.00 O ATOM 0 H GLY A 85 -13.958 1.746 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.908 -0.330 -4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.436 -0.428 -5.785 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.229 -1.422 -6.719 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.184 -2.385 -7.129 1.00 0.00 C ATOM 1253 C ASN A 86 -9.805 -1.756 -7.089 1.00 0.00 C ATOM 1254 O ASN A 86 -9.430 -0.984 -7.976 1.00 0.00 O ATOM 1255 CB ASN A 86 -11.464 -2.950 -8.527 1.00 0.00 C ATOM 1256 CG ASN A 86 -12.724 -3.795 -8.582 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -13.823 -3.262 -8.693 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -12.585 -5.094 -8.592 1.00 0.00 N ATOM 0 H ASN A 86 -12.766 -1.030 -7.492 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.208 -3.207 -6.413 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -11.554 -2.126 -9.235 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -10.614 -3.553 -8.846 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -13.404 -5.694 -8.694 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -11.658 -5.508 -8.498 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.068 -2.063 -6.064 1.00 0.00 N ATOM 1266 CA VAL A 87 -7.753 -1.513 -5.877 1.00 0.00 C ATOM 1267 C VAL A 87 -6.703 -2.585 -5.940 1.00 0.00 C ATOM 1268 O VAL A 87 -6.716 -3.492 -5.136 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.603 -0.828 -4.515 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.249 -0.179 -4.417 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.686 0.168 -4.280 1.00 0.00 C ATOM 0 H VAL A 87 -9.361 -2.706 -5.328 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.621 -0.787 -6.679 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.690 -1.588 -3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.148 0.307 -3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.473 -0.937 -4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.144 0.564 -5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.547 0.634 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.651 0.933 -5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.654 -0.333 -4.308 1.00 0.00 H new ATOM 1281 N ARG A 88 -5.798 -2.480 -6.873 1.00 0.00 N ATOM 1282 CA ARG A 88 -4.692 -3.391 -6.913 1.00 0.00 C ATOM 1283 C ARG A 88 -3.603 -2.907 -6.023 1.00 0.00 C ATOM 1284 O ARG A 88 -2.921 -1.923 -6.331 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.128 -3.612 -8.302 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.010 -4.402 -9.223 1.00 0.00 C ATOM 1287 CD ARG A 88 -6.050 -3.550 -9.931 1.00 0.00 C ATOM 1288 NE ARG A 88 -5.431 -2.455 -10.707 1.00 0.00 N ATOM 1289 CZ ARG A 88 -5.704 -2.154 -11.988 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -6.598 -2.857 -12.669 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -5.092 -1.124 -12.575 1.00 0.00 N ATOM 0 H ARG A 88 -5.805 -1.776 -7.611 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.083 -4.349 -6.572 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.929 -2.641 -8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.170 -4.124 -8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.391 -4.903 -9.968 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.515 -5.181 -8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.641 -4.178 -10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.737 -3.131 -9.196 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.738 -1.879 -10.230 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.085 -3.633 -12.221 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.799 -2.622 -13.641 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.418 -0.566 -12.052 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.299 -0.895 -13.547 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.484 -3.537 -4.908 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.421 -3.271 -4.003 1.00 0.00 C ATOM 1307 C PHE A 89 -1.328 -4.229 -4.310 1.00 0.00 C ATOM 1308 O PHE A 89 -1.417 -5.395 -3.958 1.00 0.00 O ATOM 1309 CB PHE A 89 -2.832 -3.495 -2.551 1.00 0.00 C ATOM 1310 CG PHE A 89 -3.900 -2.610 -2.030 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -3.579 -1.419 -1.430 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -5.222 -2.977 -2.118 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -4.556 -0.605 -0.924 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -6.203 -2.163 -1.618 1.00 0.00 C ATOM 1315 CZ PHE A 89 -5.870 -0.977 -1.021 1.00 0.00 C ATOM 0 H PHE A 89 -4.130 -4.261 -4.594 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.121 -2.229 -4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.161 -4.529 -2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.950 -3.374 -1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.544 -1.120 -1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.489 -3.914 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.291 0.328 -0.449 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.239 -2.457 -1.695 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.644 -0.335 -0.627 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.341 -3.792 -4.990 1.00 0.00 N ATOM 1326 CA VAL A 90 0.764 -4.643 -5.249 1.00 0.00 C ATOM 1327 C VAL A 90 1.722 -4.398 -4.130 1.00 0.00 C ATOM 1328 O VAL A 90 2.489 -3.467 -4.154 1.00 0.00 O ATOM 1329 CB VAL A 90 1.442 -4.385 -6.616 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.559 -5.396 -6.875 1.00 0.00 C ATOM 1331 CG2 VAL A 90 0.423 -4.408 -7.744 1.00 0.00 C ATOM 0 H VAL A 90 -0.270 -2.852 -5.380 1.00 0.00 H new ATOM 0 HA VAL A 90 0.429 -5.679 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 90 1.887 -3.391 -6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.018 -5.191 -7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.312 -5.315 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.144 -6.404 -6.876 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.927 -4.224 -8.693 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.064 -5.383 -7.775 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.325 -3.634 -7.574 1.00 0.00 H new ATOM 1341 N ILE A 91 1.490 -5.105 -3.088 1.00 0.00 N ATOM 1342 CA ILE A 91 2.254 -5.070 -1.891 1.00 0.00 C ATOM 1343 C ILE A 91 3.154 -6.279 -1.852 1.00 0.00 C ATOM 1344 O ILE A 91 2.877 -7.276 -2.485 1.00 0.00 O ATOM 1345 CB ILE A 91 1.257 -5.089 -0.708 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.509 -3.766 -0.655 1.00 0.00 C ATOM 1347 CG2 ILE A 91 1.891 -5.442 0.639 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.576 -3.730 0.346 1.00 0.00 C ATOM 0 H ILE A 91 0.714 -5.766 -3.042 1.00 0.00 H new ATOM 0 HA ILE A 91 2.877 -4.177 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 91 0.552 -5.899 -0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.218 -2.968 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.089 -3.558 -1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.125 -5.434 1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.339 -6.434 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.661 -4.710 0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.061 -2.754 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.308 -4.504 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.161 -3.905 1.339 1.00 0.00 H new ATOM 1360 N GLY A 92 4.217 -6.182 -1.145 1.00 0.00 N ATOM 1361 CA GLY A 92 5.076 -7.281 -1.028 1.00 0.00 C ATOM 1362 C GLY A 92 5.376 -7.559 0.408 1.00 0.00 C ATOM 1363 O GLY A 92 5.293 -6.651 1.243 1.00 0.00 O ATOM 0 H GLY A 92 4.508 -5.345 -0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.619 -8.158 -1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.002 -7.085 -1.568 1.00 0.00 H new ATOM 1367 N ARG A 93 5.728 -8.775 0.706 1.00 0.00 N ATOM 1368 CA ARG A 93 6.013 -9.172 2.057 1.00 0.00 C ATOM 1369 C ARG A 93 7.293 -9.942 2.180 1.00 0.00 C ATOM 1370 O ARG A 93 7.768 -10.561 1.225 1.00 0.00 O ATOM 1371 CB ARG A 93 4.845 -9.948 2.673 1.00 0.00 C ATOM 1372 CG ARG A 93 3.813 -9.070 3.362 1.00 0.00 C ATOM 1373 CD ARG A 93 4.216 -8.769 4.804 1.00 0.00 C ATOM 1374 NE ARG A 93 4.169 -9.993 5.636 1.00 0.00 N ATOM 1375 CZ ARG A 93 4.856 -10.223 6.770 1.00 0.00 C ATOM 1376 NH1 ARG A 93 5.679 -9.310 7.253 1.00 0.00 N ATOM 1377 NH2 ARG A 93 4.688 -11.365 7.425 1.00 0.00 N ATOM 0 H ARG A 93 5.826 -9.522 0.019 1.00 0.00 H new ATOM 0 HA ARG A 93 6.146 -8.250 2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.352 -10.524 1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.238 -10.663 3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.700 -8.136 2.811 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.843 -9.567 3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.222 -8.350 4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.549 -8.015 5.222 1.00 0.00 H new ATOM 0 HE ARG A 93 3.552 -10.739 5.316 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.798 -8.422 6.766 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.196 -9.493 8.113 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.039 -12.067 7.069 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.208 -11.541 8.285 1.00 0.00 H new ATOM 1391 N GLU A 94 7.851 -9.813 3.346 1.00 0.00 N ATOM 1392 CA GLU A 94 9.012 -10.496 3.831 1.00 0.00 C ATOM 1393 C GLU A 94 8.742 -10.766 5.278 1.00 0.00 C ATOM 1394 O GLU A 94 8.385 -11.894 5.617 1.00 0.00 O ATOM 1395 CB GLU A 94 10.272 -9.637 3.697 1.00 0.00 C ATOM 1396 CG GLU A 94 10.811 -9.537 2.292 1.00 0.00 C ATOM 1397 CD GLU A 94 11.421 -10.849 1.807 1.00 0.00 C ATOM 1398 OE1 GLU A 94 12.571 -11.167 2.202 1.00 0.00 O ATOM 1399 OE2 GLU A 94 10.792 -11.565 1.006 1.00 0.00 O ATOM 0 H GLU A 94 7.472 -9.171 4.042 1.00 0.00 H new ATOM 0 HA GLU A 94 9.190 -11.406 3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.053 -8.633 4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.048 -10.049 4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.007 -9.242 1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.566 -8.752 2.251 1.00 0.00 H new TER 1406 GLU A 94