USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 567 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 21 TYR OH : rot -38:sc= -0.156 USER MOD Set 1.2: A 56 ASN : amide:sc= -2.01! C(o=-2.2!,f=-6.2!) USER MOD Set 2.1: A 17 LYS NZ :NH3+ -151:sc= -23.1! (180deg=-29.5!) USER MOD Set 2.2: A 69 THR OG1 : rot 56:sc= -8.6! USER MOD Single : A 1 MET CE :methyl -165:sc= -1.63 (180deg=-1.96) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.0947 (180deg=0) USER MOD Single : A 6 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 11 ASN : amide:sc= -2.2 K(o=-2.2,f=-5.9!) USER MOD Single : A 15 LYS NZ :NH3+ 155:sc= -0.445 (180deg=-1.57!) USER MOD Single : A 20 LYS NZ :NH3+ -109:sc= -1.06 (180deg=-1.14) USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= 0.94 (180deg=-0.496!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -2.82! C(o=-2.8!,f=-6.3!) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.044 (180deg=-0.269) USER MOD Single : A 55 ASN : amide:sc=-0.000103 K(o=-0.0001,f=-0.66) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.424 K(o=-0.42,f=-2.9!) USER MOD Single : A 63 HIS : no HD1:sc= -0.026 X(o=-0.026,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0662) USER MOD Single : A 72 TYR OH : rot 21:sc= 0.011 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.521 -3.479 2.924 1.00 0.00 N ATOM 2 CA MET A 1 16.708 -2.698 1.997 1.00 0.00 C ATOM 3 C MET A 1 16.407 -1.315 2.612 1.00 0.00 C ATOM 4 O MET A 1 16.400 -1.190 3.837 1.00 0.00 O ATOM 5 CB MET A 1 15.418 -3.470 1.693 1.00 0.00 C ATOM 6 CG MET A 1 15.486 -4.264 0.401 1.00 0.00 C ATOM 7 SD MET A 1 14.351 -5.665 0.387 1.00 0.00 S ATOM 8 CE MET A 1 15.041 -6.673 1.696 1.00 0.00 C ATOM 0 H1 MET A 1 17.278 -4.486 2.835 1.00 0.00 H new ATOM 0 H2 MET A 1 18.528 -3.344 2.701 1.00 0.00 H new ATOM 0 H3 MET A 1 17.337 -3.164 3.898 1.00 0.00 H new ATOM 0 HA MET A 1 17.244 -2.539 1.062 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.206 -4.149 2.519 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.587 -2.767 1.637 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.256 -3.607 -0.438 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.504 -4.625 0.254 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.626 -7.679 1.637 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.124 -6.720 1.586 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.793 -6.234 2.662 1.00 0.00 H new ATOM 18 N ASP A 2 16.177 -0.264 1.795 1.00 0.00 N ATOM 19 CA ASP A 2 15.911 1.062 2.362 1.00 0.00 C ATOM 20 C ASP A 2 14.746 1.715 1.657 1.00 0.00 C ATOM 21 O ASP A 2 14.534 1.485 0.485 1.00 0.00 O ATOM 22 CB ASP A 2 17.149 1.959 2.274 1.00 0.00 C ATOM 23 CG ASP A 2 18.426 1.233 2.652 1.00 0.00 C ATOM 24 OD1 ASP A 2 18.365 0.335 3.516 1.00 0.00 O ATOM 25 OD2 ASP A 2 19.489 1.566 2.085 1.00 0.00 O ATOM 0 H ASP A 2 16.171 -0.309 0.776 1.00 0.00 H new ATOM 0 HA ASP A 2 15.659 0.930 3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 2 17.242 2.344 1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 2 17.017 2.819 2.931 1.00 0.00 H new ATOM 30 N LEU A 3 13.966 2.515 2.344 1.00 0.00 N ATOM 31 CA LEU A 3 12.844 3.133 1.669 1.00 0.00 C ATOM 32 C LEU A 3 12.911 4.649 1.603 1.00 0.00 C ATOM 33 O LEU A 3 12.803 5.328 2.626 1.00 0.00 O ATOM 34 CB LEU A 3 11.530 2.707 2.315 1.00 0.00 C ATOM 35 CG LEU A 3 10.478 2.093 1.377 1.00 0.00 C ATOM 36 CD1 LEU A 3 9.364 3.086 1.124 1.00 0.00 C ATOM 37 CD2 LEU A 3 11.081 1.650 0.050 1.00 0.00 C ATOM 0 H LEU A 3 14.077 2.749 3.331 1.00 0.00 H new ATOM 0 HA LEU A 3 12.896 2.778 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.753 1.984 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.089 3.578 2.800 1.00 0.00 H new ATOM 0 HG LEU A 3 10.080 1.208 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.624 2.641 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.890 3.349 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.775 3.984 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.301 1.223 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.524 2.509 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.851 0.900 0.232 1.00 0.00 H new ATOM 49 N ILE A 4 12.980 5.182 0.389 1.00 0.00 N ATOM 50 CA ILE A 4 12.931 6.629 0.223 1.00 0.00 C ATOM 51 C ILE A 4 11.537 6.951 -0.270 1.00 0.00 C ATOM 52 O ILE A 4 11.150 6.557 -1.371 1.00 0.00 O ATOM 53 CB ILE A 4 13.953 7.142 -0.805 1.00 0.00 C ATOM 54 CG1 ILE A 4 15.225 6.295 -0.771 1.00 0.00 C ATOM 55 CG2 ILE A 4 14.275 8.606 -0.548 1.00 0.00 C ATOM 56 CD1 ILE A 4 15.832 6.166 0.609 1.00 0.00 C ATOM 0 H ILE A 4 13.068 4.649 -0.476 1.00 0.00 H new ATOM 0 HA ILE A 4 13.171 7.110 1.171 1.00 0.00 H new ATOM 0 HB ILE A 4 13.515 7.055 -1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 4 14.999 5.300 -1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 4 15.962 6.735 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 4 15.000 8.954 -1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 4 13.364 9.198 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 4 14.693 8.716 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 4 16.731 5.552 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 4 16.091 7.155 0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 4 15.112 5.698 1.281 1.00 0.00 H new ATOM 68 N ILE A 5 10.757 7.598 0.575 1.00 0.00 N ATOM 69 CA ILE A 5 9.375 7.886 0.237 1.00 0.00 C ATOM 70 C ILE A 5 8.992 9.329 -0.021 1.00 0.00 C ATOM 71 O ILE A 5 9.349 10.244 0.723 1.00 0.00 O ATOM 72 CB ILE A 5 8.405 7.324 1.278 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.705 7.825 2.691 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.437 5.823 1.223 1.00 0.00 C ATOM 75 CD1 ILE A 5 9.963 7.252 3.308 1.00 0.00 C ATOM 0 H ILE A 5 11.052 7.932 1.492 1.00 0.00 H new ATOM 0 HA ILE A 5 9.290 7.384 -0.727 1.00 0.00 H new ATOM 0 HB ILE A 5 7.404 7.681 1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.790 8.911 2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.859 7.586 3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.747 5.417 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.140 5.489 0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.447 5.473 1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.097 7.662 4.309 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.877 6.167 3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.823 7.513 2.691 1.00 0.00 H new ATOM 87 N LYS A 6 8.122 9.467 -1.001 1.00 0.00 N ATOM 88 CA LYS A 6 7.479 10.721 -1.320 1.00 0.00 C ATOM 89 C LYS A 6 5.999 10.358 -1.410 1.00 0.00 C ATOM 90 O LYS A 6 5.325 10.564 -2.419 1.00 0.00 O ATOM 91 CB LYS A 6 8.005 11.329 -2.623 1.00 0.00 C ATOM 92 CG LYS A 6 8.502 12.756 -2.473 1.00 0.00 C ATOM 93 CD LYS A 6 7.383 13.696 -2.054 1.00 0.00 C ATOM 94 CE LYS A 6 7.471 15.030 -2.779 1.00 0.00 C ATOM 95 NZ LYS A 6 7.411 16.179 -1.833 1.00 0.00 N ATOM 0 H LYS A 6 7.839 8.697 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 6 7.675 11.490 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.817 10.708 -3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.212 11.306 -3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.301 12.788 -1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.928 13.095 -3.417 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.419 13.231 -2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.431 13.862 -0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.401 15.075 -3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.655 15.108 -3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.474 17.070 -2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.513 16.151 -1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.204 16.119 -1.163 1.00 0.00 H new ATOM 109 N GLU A 7 5.577 9.673 -0.343 1.00 0.00 N ATOM 110 CA GLU A 7 4.254 9.072 -0.207 1.00 0.00 C ATOM 111 C GLU A 7 3.106 10.021 0.132 1.00 0.00 C ATOM 112 O GLU A 7 3.216 10.858 1.028 1.00 0.00 O ATOM 113 CB GLU A 7 4.398 7.915 0.790 1.00 0.00 C ATOM 114 CG GLU A 7 5.345 6.780 0.294 1.00 0.00 C ATOM 115 CD GLU A 7 6.130 7.082 -0.958 1.00 0.00 C ATOM 116 OE1 GLU A 7 5.605 7.754 -1.858 1.00 0.00 O ATOM 117 OE2 GLU A 7 7.276 6.609 -1.046 1.00 0.00 O ATOM 0 H GLU A 7 6.168 9.519 0.474 1.00 0.00 H new ATOM 0 HA GLU A 7 3.940 8.720 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.776 8.305 1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.413 7.494 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.048 6.544 1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.748 5.885 0.119 1.00 0.00 H new ATOM 124 N LYS A 8 1.971 9.857 -0.604 1.00 0.00 N ATOM 125 CA LYS A 8 0.797 10.666 -0.384 1.00 0.00 C ATOM 126 C LYS A 8 -0.418 9.752 -0.204 1.00 0.00 C ATOM 127 O LYS A 8 -0.806 9.040 -1.129 1.00 0.00 O ATOM 128 CB LYS A 8 0.565 11.628 -1.556 1.00 0.00 C ATOM 129 CG LYS A 8 1.843 12.069 -2.255 1.00 0.00 C ATOM 130 CD LYS A 8 2.650 13.023 -1.392 1.00 0.00 C ATOM 131 CE LYS A 8 3.601 13.865 -2.228 1.00 0.00 C ATOM 132 NZ LYS A 8 3.106 15.259 -2.399 1.00 0.00 N ATOM 0 H LYS A 8 1.871 9.166 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 8 0.945 11.263 0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.088 11.147 -2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.040 12.510 -1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.448 11.194 -2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.594 12.553 -3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.974 13.676 -0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.218 12.456 -0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.582 13.884 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.730 13.403 -3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.783 15.800 -2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.182 15.243 -2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.007 15.709 -1.467 1.00 0.00 H new ATOM 146 N ARG A 9 -0.995 9.751 0.991 1.00 0.00 N ATOM 147 CA ARG A 9 -2.142 8.892 1.287 1.00 0.00 C ATOM 148 C ARG A 9 -3.460 9.657 1.236 1.00 0.00 C ATOM 149 O ARG A 9 -3.630 10.673 1.910 1.00 0.00 O ATOM 150 CB ARG A 9 -1.964 8.257 2.672 1.00 0.00 C ATOM 151 CG ARG A 9 -3.148 7.416 3.130 1.00 0.00 C ATOM 152 CD ARG A 9 -3.499 7.690 4.584 1.00 0.00 C ATOM 153 NE ARG A 9 -4.089 9.013 4.766 1.00 0.00 N ATOM 154 CZ ARG A 9 -4.726 9.394 5.870 1.00 0.00 C ATOM 155 NH1 ARG A 9 -4.856 8.559 6.892 1.00 0.00 N ATOM 156 NH2 ARG A 9 -5.235 10.615 5.953 1.00 0.00 N ATOM 0 H ARG A 9 -0.691 10.333 1.772 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.183 8.117 0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.071 7.632 2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.790 9.047 3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.012 7.629 2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.915 6.359 3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.196 6.931 4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.600 7.607 5.195 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.008 9.684 4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.466 7.618 6.835 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.346 8.858 7.735 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.138 11.262 5.171 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.723 10.907 6.799 1.00 0.00 H new ATOM 170 N ASP A 10 -4.396 9.137 0.449 1.00 0.00 N ATOM 171 CA ASP A 10 -5.714 9.740 0.325 1.00 0.00 C ATOM 172 C ASP A 10 -6.792 8.699 0.612 1.00 0.00 C ATOM 173 O ASP A 10 -6.955 7.701 -0.121 1.00 0.00 O ATOM 174 CB ASP A 10 -5.896 10.306 -1.082 1.00 0.00 C ATOM 175 CG ASP A 10 -6.867 11.471 -1.120 1.00 0.00 C ATOM 176 OD1 ASP A 10 -6.807 12.323 -0.207 1.00 0.00 O ATOM 177 OD2 ASP A 10 -7.687 11.531 -2.059 1.00 0.00 O ATOM 0 H ASP A 10 -4.263 8.296 -0.113 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.804 10.551 1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.929 10.631 -1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.254 9.517 -1.744 1.00 0.00 H new ATOM 182 N ASN A 11 -7.554 8.907 1.669 1.00 0.00 N ATOM 183 CA ASN A 11 -8.575 7.941 1.970 1.00 0.00 C ATOM 184 C ASN A 11 -9.974 8.523 1.829 1.00 0.00 C ATOM 185 O ASN A 11 -10.396 9.359 2.627 1.00 0.00 O ATOM 186 CB ASN A 11 -8.384 7.436 3.403 1.00 0.00 C ATOM 187 CG ASN A 11 -7.184 6.520 3.539 1.00 0.00 C ATOM 188 OD1 ASN A 11 -6.317 6.481 2.665 1.00 0.00 O ATOM 189 ND2 ASN A 11 -7.128 5.777 4.638 1.00 0.00 N ATOM 0 H ASN A 11 -7.487 9.702 2.305 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.480 7.124 1.255 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.265 8.288 4.072 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.281 6.904 3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.344 5.141 4.784 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.869 5.842 5.336 1.00 0.00 H new ATOM 196 N PRO A 12 -10.728 8.041 0.830 1.00 0.00 N ATOM 197 CA PRO A 12 -12.085 8.438 0.579 1.00 0.00 C ATOM 198 C PRO A 12 -13.007 7.306 1.032 1.00 0.00 C ATOM 199 O PRO A 12 -12.959 6.900 2.195 1.00 0.00 O ATOM 200 CB PRO A 12 -12.053 8.588 -0.939 1.00 0.00 C ATOM 201 CG PRO A 12 -11.135 7.489 -1.396 1.00 0.00 C ATOM 202 CD PRO A 12 -10.326 7.058 -0.183 1.00 0.00 C ATOM 0 HA PRO A 12 -12.439 9.334 1.090 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.048 8.482 -1.371 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.680 9.568 -1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.705 6.651 -1.798 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.479 7.840 -2.193 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.564 6.039 0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.254 7.090 -0.377 1.00 0.00 H new ATOM 210 N ILE A 13 -13.803 6.754 0.124 1.00 0.00 N ATOM 211 CA ILE A 13 -14.661 5.637 0.469 1.00 0.00 C ATOM 212 C ILE A 13 -13.836 4.363 0.672 1.00 0.00 C ATOM 213 O ILE A 13 -14.180 3.515 1.494 1.00 0.00 O ATOM 214 CB ILE A 13 -15.737 5.372 -0.608 1.00 0.00 C ATOM 215 CG1 ILE A 13 -15.142 4.623 -1.814 1.00 0.00 C ATOM 216 CG2 ILE A 13 -16.393 6.678 -1.044 1.00 0.00 C ATOM 217 CD1 ILE A 13 -14.307 5.486 -2.739 1.00 0.00 C ATOM 0 H ILE A 13 -13.869 7.061 -0.846 1.00 0.00 H new ATOM 0 HA ILE A 13 -15.164 5.907 1.398 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.505 4.735 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.525 3.802 -1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.956 4.179 -2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -17.148 6.471 -1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.864 7.153 -0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -15.636 7.345 -1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.928 4.878 -3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.922 6.292 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.470 5.909 -2.184 1.00 0.00 H new ATOM 229 N LEU A 14 -12.776 4.212 -0.134 1.00 0.00 N ATOM 230 CA LEU A 14 -11.948 3.006 -0.080 1.00 0.00 C ATOM 231 C LEU A 14 -10.591 3.195 0.594 1.00 0.00 C ATOM 232 O LEU A 14 -9.775 2.278 0.585 1.00 0.00 O ATOM 233 CB LEU A 14 -11.802 2.393 -1.485 1.00 0.00 C ATOM 234 CG LEU A 14 -10.596 2.844 -2.321 1.00 0.00 C ATOM 235 CD1 LEU A 14 -10.335 4.334 -2.160 1.00 0.00 C ATOM 236 CD2 LEU A 14 -9.361 2.033 -1.955 1.00 0.00 C ATOM 0 H LEU A 14 -12.477 4.903 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.479 2.307 0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.754 1.309 -1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.708 2.618 -2.048 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.829 2.664 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.475 4.620 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.211 4.894 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.132 4.557 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.516 2.366 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.132 2.175 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.549 0.977 -2.147 1.00 0.00 H new ATOM 248 N LYS A 15 -10.378 4.327 1.259 1.00 0.00 N ATOM 249 CA LYS A 15 -9.144 4.526 2.020 1.00 0.00 C ATOM 250 C LYS A 15 -7.863 4.144 1.249 1.00 0.00 C ATOM 251 O LYS A 15 -7.088 3.314 1.726 1.00 0.00 O ATOM 252 CB LYS A 15 -9.248 3.767 3.350 1.00 0.00 C ATOM 253 CG LYS A 15 -9.598 2.290 3.225 1.00 0.00 C ATOM 254 CD LYS A 15 -11.105 2.088 3.049 1.00 0.00 C ATOM 255 CE LYS A 15 -11.752 1.497 4.294 1.00 0.00 C ATOM 256 NZ LYS A 15 -11.097 1.967 5.547 1.00 0.00 N ATOM 0 H LYS A 15 -11.031 5.110 1.288 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.045 5.595 2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.298 3.856 3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.002 4.252 3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.070 1.860 2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.259 1.757 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.574 3.044 2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.285 1.429 2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.808 1.767 4.315 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.702 0.409 4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.774 1.910 6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.273 1.367 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.786 2.952 5.428 1.00 0.00 H new ATOM 270 N ARG A 16 -7.647 4.708 0.049 1.00 0.00 N ATOM 271 CA ARG A 16 -6.463 4.352 -0.747 1.00 0.00 C ATOM 272 C ARG A 16 -5.395 5.412 -0.693 1.00 0.00 C ATOM 273 O ARG A 16 -5.635 6.545 -0.318 1.00 0.00 O ATOM 274 CB ARG A 16 -6.852 4.085 -2.204 1.00 0.00 C ATOM 275 CG ARG A 16 -6.276 2.794 -2.764 1.00 0.00 C ATOM 276 CD ARG A 16 -6.859 2.471 -4.131 1.00 0.00 C ATOM 277 NE ARG A 16 -6.068 3.045 -5.216 1.00 0.00 N ATOM 278 CZ ARG A 16 -6.439 3.019 -6.495 1.00 0.00 C ATOM 279 NH1 ARG A 16 -7.584 2.449 -6.850 1.00 0.00 N ATOM 280 NH2 ARG A 16 -5.664 3.567 -7.421 1.00 0.00 N ATOM 0 H ARG A 16 -8.262 5.397 -0.383 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.051 3.444 -0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.939 4.051 -2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.516 4.919 -2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.192 2.881 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.482 1.974 -2.076 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.913 1.389 -4.255 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.880 2.849 -4.188 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.181 3.491 -4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.185 2.028 -6.142 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.863 2.432 -7.831 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.784 4.008 -7.154 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.948 3.547 -8.401 1.00 0.00 H new ATOM 294 N LYS A 17 -4.192 5.014 -1.049 1.00 0.00 N ATOM 295 CA LYS A 17 -3.077 5.928 -1.012 1.00 0.00 C ATOM 296 C LYS A 17 -2.237 5.821 -2.294 1.00 0.00 C ATOM 297 O LYS A 17 -2.152 4.736 -2.898 1.00 0.00 O ATOM 298 CB LYS A 17 -2.320 5.649 0.278 1.00 0.00 C ATOM 299 CG LYS A 17 -0.863 5.998 0.249 1.00 0.00 C ATOM 300 CD LYS A 17 -0.015 4.751 0.129 1.00 0.00 C ATOM 301 CE LYS A 17 -0.181 4.127 -1.245 1.00 0.00 C ATOM 302 NZ LYS A 17 0.824 3.073 -1.514 1.00 0.00 N ATOM 0 H LYS A 17 -3.965 4.071 -1.364 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.396 6.970 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.795 6.205 1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.419 4.590 0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.660 6.663 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.596 6.539 1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.033 4.999 0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.301 4.034 0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.181 3.701 -1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.101 4.904 -2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.010 3.023 -2.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.706 3.298 -1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.462 2.156 -1.183 1.00 0.00 H new ATOM 316 N GLU A 18 -1.617 6.956 -2.702 1.00 0.00 N ATOM 317 CA GLU A 18 -0.796 7.021 -3.909 1.00 0.00 C ATOM 318 C GLU A 18 0.514 7.665 -3.538 1.00 0.00 C ATOM 319 O GLU A 18 0.576 8.845 -3.190 1.00 0.00 O ATOM 320 CB GLU A 18 -1.488 7.820 -5.019 1.00 0.00 C ATOM 321 CG GLU A 18 -2.941 8.158 -4.724 1.00 0.00 C ATOM 322 CD GLU A 18 -3.608 8.913 -5.857 1.00 0.00 C ATOM 323 OE1 GLU A 18 -3.485 10.155 -5.896 1.00 0.00 O ATOM 324 OE2 GLU A 18 -4.252 8.260 -6.706 1.00 0.00 O ATOM 0 H GLU A 18 -1.679 7.841 -2.198 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.636 6.015 -4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.937 8.746 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.439 7.250 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.492 7.237 -4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.993 8.756 -3.814 1.00 0.00 H new ATOM 331 N ILE A 19 1.534 6.858 -3.509 1.00 0.00 N ATOM 332 CA ILE A 19 2.827 7.303 -3.062 1.00 0.00 C ATOM 333 C ILE A 19 3.974 6.869 -3.968 1.00 0.00 C ATOM 334 O ILE A 19 3.917 5.825 -4.611 1.00 0.00 O ATOM 335 CB ILE A 19 3.040 6.836 -1.625 1.00 0.00 C ATOM 336 CG1 ILE A 19 3.563 5.431 -1.581 1.00 0.00 C ATOM 337 CG2 ILE A 19 1.738 6.913 -0.855 1.00 0.00 C ATOM 338 CD1 ILE A 19 2.810 4.524 -2.477 1.00 0.00 C ATOM 0 H ILE A 19 1.497 5.879 -3.792 1.00 0.00 H new ATOM 0 HA ILE A 19 2.835 8.392 -3.107 1.00 0.00 H new ATOM 0 HB ILE A 19 3.778 7.494 -1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.615 5.428 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.508 5.057 -0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.901 6.578 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.380 7.943 -0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.995 6.274 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.226 3.519 -2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.762 4.504 -2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.887 4.881 -3.504 1.00 0.00 H new ATOM 350 N LYS A 20 5.014 7.679 -4.008 1.00 0.00 N ATOM 351 CA LYS A 20 6.194 7.363 -4.821 1.00 0.00 C ATOM 352 C LYS A 20 7.294 6.770 -3.921 1.00 0.00 C ATOM 353 O LYS A 20 7.609 7.348 -2.889 1.00 0.00 O ATOM 354 CB LYS A 20 6.707 8.633 -5.478 1.00 0.00 C ATOM 355 CG LYS A 20 7.836 9.252 -4.692 1.00 0.00 C ATOM 356 CD LYS A 20 9.157 8.610 -5.073 1.00 0.00 C ATOM 357 CE LYS A 20 10.274 9.634 -5.178 1.00 0.00 C ATOM 358 NZ LYS A 20 11.479 9.074 -5.849 1.00 0.00 N ATOM 0 H LYS A 20 5.075 8.558 -3.494 1.00 0.00 H new ATOM 0 HA LYS A 20 5.924 6.638 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.048 8.408 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.891 9.350 -5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.876 10.324 -4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.657 9.125 -3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.423 7.858 -4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.048 8.093 -6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.920 10.502 -5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.543 9.982 -4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.239 8.948 -5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.244 8.154 -6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.798 9.728 -6.593 1.00 0.00 H new ATOM 372 N TYR A 21 7.871 5.623 -4.269 1.00 0.00 N ATOM 373 CA TYR A 21 8.884 5.028 -3.385 1.00 0.00 C ATOM 374 C TYR A 21 10.131 4.447 -4.075 1.00 0.00 C ATOM 375 O TYR A 21 10.102 4.047 -5.242 1.00 0.00 O ATOM 376 CB TYR A 21 8.197 3.928 -2.564 1.00 0.00 C ATOM 377 CG TYR A 21 8.172 2.562 -3.235 1.00 0.00 C ATOM 378 CD1 TYR A 21 8.085 2.443 -4.621 1.00 0.00 C ATOM 379 CD2 TYR A 21 8.223 1.396 -2.485 1.00 0.00 C ATOM 380 CE1 TYR A 21 8.054 1.206 -5.234 1.00 0.00 C ATOM 381 CE2 TYR A 21 8.192 0.152 -3.096 1.00 0.00 C ATOM 382 CZ TYR A 21 8.108 0.065 -4.467 1.00 0.00 C ATOM 383 OH TYR A 21 8.078 -1.169 -5.074 1.00 0.00 O ATOM 0 H TYR A 21 7.670 5.100 -5.121 1.00 0.00 H new ATOM 0 HA TYR A 21 9.271 5.845 -2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.705 3.838 -1.604 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.172 4.235 -2.355 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.041 3.336 -5.227 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.288 1.458 -1.409 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.988 1.135 -6.310 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.234 -0.746 -2.498 1.00 0.00 H new ATOM 0 HH TYR A 21 7.463 -1.143 -5.837 1.00 0.00 H new ATOM 393 N VAL A 22 11.204 4.341 -3.276 1.00 0.00 N ATOM 394 CA VAL A 22 12.472 3.719 -3.706 1.00 0.00 C ATOM 395 C VAL A 22 12.972 2.800 -2.592 1.00 0.00 C ATOM 396 O VAL A 22 13.060 3.209 -1.441 1.00 0.00 O ATOM 397 CB VAL A 22 13.613 4.726 -4.071 1.00 0.00 C ATOM 398 CG1 VAL A 22 14.981 4.243 -3.558 1.00 0.00 C ATOM 399 CG2 VAL A 22 13.708 4.918 -5.576 1.00 0.00 C ATOM 0 H VAL A 22 11.220 4.682 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 22 12.242 3.178 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 22 13.360 5.671 -3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.748 4.968 -3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.947 4.140 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.218 3.278 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.508 5.622 -5.803 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.921 3.961 -6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.763 5.309 -5.953 1.00 0.00 H new ATOM 409 N LEU A 23 13.340 1.579 -2.937 1.00 0.00 N ATOM 410 CA LEU A 23 13.858 0.642 -1.992 1.00 0.00 C ATOM 411 C LEU A 23 15.328 0.494 -2.298 1.00 0.00 C ATOM 412 O LEU A 23 15.695 0.189 -3.434 1.00 0.00 O ATOM 413 CB LEU A 23 13.132 -0.712 -2.139 1.00 0.00 C ATOM 414 CG LEU A 23 13.676 -1.880 -1.294 1.00 0.00 C ATOM 415 CD1 LEU A 23 12.924 -1.994 0.024 1.00 0.00 C ATOM 416 CD2 LEU A 23 13.575 -3.196 -2.061 1.00 0.00 C ATOM 0 H LEU A 23 13.282 1.220 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 23 13.707 0.983 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.083 -0.566 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.166 -1.005 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 23 14.725 -1.674 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.327 -2.826 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.039 -1.069 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.867 -2.169 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.965 -4.007 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.532 -3.395 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.156 -3.127 -2.980 1.00 0.00 H new ATOM 428 N LYS A 24 16.178 0.718 -1.321 1.00 0.00 N ATOM 429 CA LYS A 24 17.589 0.608 -1.569 1.00 0.00 C ATOM 430 C LYS A 24 18.052 -0.715 -1.049 1.00 0.00 C ATOM 431 O LYS A 24 17.906 -1.034 0.118 1.00 0.00 O ATOM 432 CB LYS A 24 18.356 1.735 -0.881 1.00 0.00 C ATOM 433 CG LYS A 24 17.698 3.097 -1.025 1.00 0.00 C ATOM 434 CD LYS A 24 18.452 4.159 -0.245 1.00 0.00 C ATOM 435 CE LYS A 24 18.317 5.526 -0.892 1.00 0.00 C ATOM 436 NZ LYS A 24 19.535 5.902 -1.658 1.00 0.00 N ATOM 0 H LYS A 24 15.920 0.972 -0.367 1.00 0.00 H new ATOM 0 HA LYS A 24 17.777 0.686 -2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.457 1.500 0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.363 1.782 -1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.659 3.375 -2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.668 3.045 -0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.073 4.200 0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.506 3.887 -0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.454 5.528 -1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.127 6.274 -0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.555 6.933 -1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.381 5.605 -1.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.521 5.431 -2.585 1.00 0.00 H new ATOM 450 N PHE A 25 18.588 -1.502 -1.941 1.00 0.00 N ATOM 451 CA PHE A 25 19.025 -2.813 -1.587 1.00 0.00 C ATOM 452 C PHE A 25 20.516 -2.961 -1.774 1.00 0.00 C ATOM 453 O PHE A 25 21.080 -2.560 -2.791 1.00 0.00 O ATOM 454 CB PHE A 25 18.253 -3.827 -2.422 1.00 0.00 C ATOM 455 CG PHE A 25 17.958 -3.384 -3.830 1.00 0.00 C ATOM 456 CD1 PHE A 25 16.812 -2.659 -4.122 1.00 0.00 C ATOM 457 CD2 PHE A 25 18.824 -3.704 -4.864 1.00 0.00 C ATOM 458 CE1 PHE A 25 16.540 -2.264 -5.417 1.00 0.00 C ATOM 459 CE2 PHE A 25 18.555 -3.310 -6.161 1.00 0.00 C ATOM 460 CZ PHE A 25 17.411 -2.590 -6.438 1.00 0.00 C ATOM 0 H PHE A 25 18.730 -1.252 -2.920 1.00 0.00 H new ATOM 0 HA PHE A 25 18.825 -2.992 -0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 25 18.822 -4.756 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 25 17.311 -4.050 -1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.126 -2.401 -3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 25 19.720 -4.268 -4.653 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.645 -1.699 -5.632 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.239 -3.565 -6.957 1.00 0.00 H new ATOM 0 HZ PHE A 25 17.197 -2.282 -7.451 1.00 0.00 H new ATOM 470 N ASP A 26 21.144 -3.536 -0.768 1.00 0.00 N ATOM 471 CA ASP A 26 22.588 -3.739 -0.791 1.00 0.00 C ATOM 472 C ASP A 26 22.971 -4.903 -1.704 1.00 0.00 C ATOM 473 O ASP A 26 22.107 -5.610 -2.218 1.00 0.00 O ATOM 474 CB ASP A 26 23.104 -3.959 0.632 1.00 0.00 C ATOM 475 CG ASP A 26 22.949 -5.390 1.111 1.00 0.00 C ATOM 476 OD1 ASP A 26 21.821 -5.921 1.039 1.00 0.00 O ATOM 477 OD2 ASP A 26 23.955 -5.980 1.557 1.00 0.00 O ATOM 0 H ASP A 26 20.682 -3.872 0.077 1.00 0.00 H new ATOM 0 HA ASP A 26 23.058 -2.844 -1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 26 24.157 -3.680 0.677 1.00 0.00 H new ATOM 0 HB3 ASP A 26 22.569 -3.296 1.312 1.00 0.00 H new ATOM 567 N ARG A 33 9.814 -10.481 2.885 1.00 0.00 N ATOM 568 CA ARG A 33 8.422 -10.081 2.727 1.00 0.00 C ATOM 569 C ARG A 33 8.114 -8.830 3.542 1.00 0.00 C ATOM 570 O ARG A 33 7.549 -7.863 3.039 1.00 0.00 O ATOM 571 CB ARG A 33 7.490 -11.219 3.150 1.00 0.00 C ATOM 572 CG ARG A 33 6.168 -11.231 2.402 1.00 0.00 C ATOM 573 CD ARG A 33 5.214 -12.266 2.976 1.00 0.00 C ATOM 574 NE ARG A 33 4.004 -12.405 2.168 1.00 0.00 N ATOM 575 CZ ARG A 33 3.176 -13.443 2.245 1.00 0.00 C ATOM 576 NH1 ARG A 33 3.421 -14.436 3.093 1.00 0.00 N ATOM 577 NH2 ARG A 33 2.098 -13.491 1.473 1.00 0.00 N ATOM 0 HA ARG A 33 8.256 -9.855 1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.997 -12.171 2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.293 -11.138 4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.710 -10.243 2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.347 -11.444 1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.720 -13.229 3.039 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.940 -11.982 3.992 1.00 0.00 H new ATOM 0 HE ARG A 33 3.781 -11.662 1.506 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.248 -14.405 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.782 -15.229 3.148 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.904 -12.732 0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.463 -14.287 1.532 1.00 0.00 H new ATOM 591 N GLU A 34 8.493 -8.878 4.817 1.00 0.00 N ATOM 592 CA GLU A 34 8.270 -7.780 5.753 1.00 0.00 C ATOM 593 C GLU A 34 9.234 -6.617 5.539 1.00 0.00 C ATOM 594 O GLU A 34 8.850 -5.456 5.652 1.00 0.00 O ATOM 595 CB GLU A 34 8.392 -8.291 7.190 1.00 0.00 C ATOM 596 CG GLU A 34 7.248 -7.853 8.090 1.00 0.00 C ATOM 597 CD GLU A 34 6.828 -8.935 9.065 1.00 0.00 C ATOM 598 OE1 GLU A 34 7.596 -9.212 10.011 1.00 0.00 O ATOM 599 OE2 GLU A 34 5.732 -9.506 8.883 1.00 0.00 O ATOM 0 H GLU A 34 8.965 -9.682 5.231 1.00 0.00 H new ATOM 0 HA GLU A 34 7.264 -7.403 5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.437 -9.380 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.332 -7.938 7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.547 -6.964 8.646 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.393 -7.572 7.475 1.00 0.00 H new ATOM 606 N GLU A 35 10.500 -6.934 5.285 1.00 0.00 N ATOM 607 CA GLU A 35 11.511 -5.897 5.130 1.00 0.00 C ATOM 608 C GLU A 35 11.169 -4.906 4.024 1.00 0.00 C ATOM 609 O GLU A 35 11.158 -3.708 4.265 1.00 0.00 O ATOM 610 CB GLU A 35 12.874 -6.530 4.850 1.00 0.00 C ATOM 611 CG GLU A 35 14.047 -5.678 5.311 1.00 0.00 C ATOM 612 CD GLU A 35 14.550 -6.073 6.684 1.00 0.00 C ATOM 613 OE1 GLU A 35 14.715 -7.286 6.930 1.00 0.00 O ATOM 614 OE2 GLU A 35 14.776 -5.169 7.516 1.00 0.00 O ATOM 0 H GLU A 35 10.846 -7.888 5.183 1.00 0.00 H new ATOM 0 HA GLU A 35 11.542 -5.341 6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.923 -7.500 5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.967 -6.713 3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.860 -5.766 4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.747 -4.630 5.326 1.00 0.00 H new ATOM 621 N ILE A 36 10.878 -5.392 2.823 1.00 0.00 N ATOM 622 CA ILE A 36 10.541 -4.497 1.718 1.00 0.00 C ATOM 623 C ILE A 36 9.131 -3.931 1.869 1.00 0.00 C ATOM 624 O ILE A 36 8.928 -2.725 1.840 1.00 0.00 O ATOM 625 CB ILE A 36 10.677 -5.200 0.346 1.00 0.00 C ATOM 626 CG1 ILE A 36 10.459 -4.190 -0.797 1.00 0.00 C ATOM 627 CG2 ILE A 36 9.720 -6.382 0.246 1.00 0.00 C ATOM 628 CD1 ILE A 36 9.309 -4.517 -1.729 1.00 0.00 C ATOM 0 H ILE A 36 10.868 -6.385 2.589 1.00 0.00 H new ATOM 0 HA ILE A 36 11.256 -3.675 1.755 1.00 0.00 H new ATOM 0 HB ILE A 36 11.689 -5.594 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.287 -3.205 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.375 -4.124 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.833 -6.861 -0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.947 -7.101 1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.695 -6.031 0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.235 -3.749 -2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.484 -5.486 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.379 -4.552 -1.161 1.00 0.00 H new ATOM 640 N LYS A 37 8.173 -4.824 2.017 1.00 0.00 N ATOM 641 CA LYS A 37 6.751 -4.456 2.163 1.00 0.00 C ATOM 642 C LYS A 37 6.478 -3.588 3.377 1.00 0.00 C ATOM 643 O LYS A 37 5.897 -2.512 3.249 1.00 0.00 O ATOM 644 CB LYS A 37 5.875 -5.708 2.216 1.00 0.00 C ATOM 645 CG LYS A 37 5.949 -6.557 0.956 1.00 0.00 C ATOM 646 CD LYS A 37 4.637 -7.279 0.691 1.00 0.00 C ATOM 647 CE LYS A 37 4.484 -7.641 -0.778 1.00 0.00 C ATOM 648 NZ LYS A 37 3.382 -6.878 -1.426 1.00 0.00 N ATOM 0 H LYS A 37 8.343 -5.829 2.041 1.00 0.00 H new ATOM 0 HA LYS A 37 6.499 -3.863 1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.174 -6.315 3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.840 -5.410 2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.195 -5.924 0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.753 -7.286 1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.591 -8.184 1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.804 -6.647 0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.420 -7.442 -1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.289 -8.709 -0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.310 -7.154 -2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.485 -7.088 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.580 -5.859 -1.361 1.00 0.00 H new ATOM 662 N GLU A 38 6.871 -4.032 4.548 1.00 0.00 N ATOM 663 CA GLU A 38 6.622 -3.236 5.731 1.00 0.00 C ATOM 664 C GLU A 38 7.415 -1.935 5.660 1.00 0.00 C ATOM 665 O GLU A 38 6.932 -0.877 6.047 1.00 0.00 O ATOM 666 CB GLU A 38 6.931 -4.043 6.987 1.00 0.00 C ATOM 667 CG GLU A 38 8.258 -3.705 7.653 1.00 0.00 C ATOM 668 CD GLU A 38 8.714 -4.780 8.622 1.00 0.00 C ATOM 669 OE1 GLU A 38 8.078 -4.928 9.685 1.00 0.00 O ATOM 670 OE2 GLU A 38 9.707 -5.473 8.315 1.00 0.00 O ATOM 0 H GLU A 38 7.353 -4.917 4.708 1.00 0.00 H new ATOM 0 HA GLU A 38 5.566 -2.969 5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.129 -3.888 7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.929 -5.102 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.020 -3.565 6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.163 -2.758 8.185 1.00 0.00 H new ATOM 677 N LEU A 39 8.622 -2.004 5.126 1.00 0.00 N ATOM 678 CA LEU A 39 9.435 -0.812 4.986 1.00 0.00 C ATOM 679 C LEU A 39 8.820 0.134 3.956 1.00 0.00 C ATOM 680 O LEU A 39 8.884 1.351 4.112 1.00 0.00 O ATOM 681 CB LEU A 39 10.856 -1.208 4.594 1.00 0.00 C ATOM 682 CG LEU A 39 11.696 -0.117 3.945 1.00 0.00 C ATOM 683 CD1 LEU A 39 13.059 -0.011 4.614 1.00 0.00 C ATOM 684 CD2 LEU A 39 11.842 -0.403 2.460 1.00 0.00 C ATOM 0 H LEU A 39 9.056 -2.863 4.786 1.00 0.00 H new ATOM 0 HA LEU A 39 9.472 -0.284 5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.375 -1.556 5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.801 -2.053 3.908 1.00 0.00 H new ATOM 0 HG LEU A 39 11.192 0.841 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.640 0.775 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.929 0.229 5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.585 -0.961 4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.444 0.379 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.331 -1.367 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.856 -0.426 1.995 1.00 0.00 H new ATOM 696 N ILE A 40 8.234 -0.428 2.899 1.00 0.00 N ATOM 697 CA ILE A 40 7.624 0.387 1.855 1.00 0.00 C ATOM 698 C ILE A 40 6.260 0.944 2.239 1.00 0.00 C ATOM 699 O ILE A 40 6.068 2.138 2.156 1.00 0.00 O ATOM 700 CB ILE A 40 7.555 -0.342 0.502 1.00 0.00 C ATOM 701 CG1 ILE A 40 6.687 -1.588 0.587 1.00 0.00 C ATOM 702 CG2 ILE A 40 8.968 -0.693 0.043 1.00 0.00 C ATOM 703 CD1 ILE A 40 6.978 -2.586 -0.512 1.00 0.00 C ATOM 0 H ILE A 40 8.170 -1.434 2.746 1.00 0.00 H new ATOM 0 HA ILE A 40 8.292 1.240 1.741 1.00 0.00 H new ATOM 0 HB ILE A 40 7.094 0.321 -0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.841 -2.066 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.638 -1.297 0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.921 -1.210 -0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.553 0.220 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.440 -1.341 0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.327 -3.453 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.798 -2.122 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.019 -2.903 -0.449 1.00 0.00 H new ATOM 715 N ALA A 41 5.316 0.108 2.653 1.00 0.00 N ATOM 716 CA ALA A 41 3.979 0.600 3.017 1.00 0.00 C ATOM 717 C ALA A 41 4.002 1.553 4.196 1.00 0.00 C ATOM 718 O ALA A 41 3.447 2.668 4.158 1.00 0.00 O ATOM 719 CB ALA A 41 3.052 -0.549 3.354 1.00 0.00 C ATOM 0 H ALA A 41 5.441 -0.900 2.747 1.00 0.00 H new ATOM 0 HA ALA A 41 3.616 1.140 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.070 -0.158 3.620 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.959 -1.207 2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.459 -1.110 4.195 1.00 0.00 H new ATOM 725 N LYS A 42 4.630 1.103 5.256 1.00 0.00 N ATOM 726 CA LYS A 42 4.696 1.878 6.466 1.00 0.00 C ATOM 727 C LYS A 42 5.250 3.246 6.147 1.00 0.00 C ATOM 728 O LYS A 42 4.592 4.258 6.416 1.00 0.00 O ATOM 729 CB LYS A 42 5.505 1.086 7.490 1.00 0.00 C ATOM 730 CG LYS A 42 4.994 -0.356 7.591 1.00 0.00 C ATOM 731 CD LYS A 42 5.604 -1.117 8.754 1.00 0.00 C ATOM 732 CE LYS A 42 4.777 -2.350 9.091 1.00 0.00 C ATOM 733 NZ LYS A 42 3.940 -2.141 10.306 1.00 0.00 N ATOM 0 H LYS A 42 5.103 0.201 5.302 1.00 0.00 H new ATOM 0 HA LYS A 42 3.714 2.053 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.557 1.084 7.206 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.439 1.569 8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.909 -0.345 7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.217 -0.881 6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.623 -1.415 8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.666 -0.467 9.626 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.135 -2.599 8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.440 -3.200 9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.392 -3.003 10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.554 -1.928 11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.289 -1.346 10.147 1.00 0.00 H new ATOM 747 N HIS A 43 6.378 3.270 5.456 1.00 0.00 N ATOM 748 CA HIS A 43 6.954 4.518 4.994 1.00 0.00 C ATOM 749 C HIS A 43 6.012 5.162 3.998 1.00 0.00 C ATOM 750 O HIS A 43 5.926 6.385 3.891 1.00 0.00 O ATOM 751 CB HIS A 43 8.275 4.259 4.289 1.00 0.00 C ATOM 752 CG HIS A 43 9.454 4.188 5.208 1.00 0.00 C ATOM 753 ND1 HIS A 43 10.703 4.666 4.869 1.00 0.00 N ATOM 754 CD2 HIS A 43 9.571 3.692 6.463 1.00 0.00 C ATOM 755 CE1 HIS A 43 11.538 4.464 5.873 1.00 0.00 C ATOM 756 NE2 HIS A 43 10.875 3.876 6.852 1.00 0.00 N ATOM 0 H HIS A 43 6.912 2.438 5.204 1.00 0.00 H new ATOM 0 HA HIS A 43 7.115 5.167 5.855 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.202 3.323 3.736 1.00 0.00 H new ATOM 0 HB3 HIS A 43 8.445 5.049 3.557 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.786 3.237 7.048 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.584 4.734 5.890 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.268 3.602 7.752 1.00 0.00 H new ATOM 765 N GLU A 44 5.321 4.304 3.253 1.00 0.00 N ATOM 766 CA GLU A 44 4.391 4.743 2.237 1.00 0.00 C ATOM 767 C GLU A 44 3.245 5.513 2.824 1.00 0.00 C ATOM 768 O GLU A 44 2.398 6.040 2.105 1.00 0.00 O ATOM 769 CB GLU A 44 3.944 3.581 1.368 1.00 0.00 C ATOM 770 CG GLU A 44 4.966 3.299 0.269 1.00 0.00 C ATOM 771 CD GLU A 44 4.955 1.866 -0.238 1.00 0.00 C ATOM 772 OE1 GLU A 44 4.208 1.040 0.317 1.00 0.00 O ATOM 773 OE2 GLU A 44 5.700 1.571 -1.195 1.00 0.00 O ATOM 0 H GLU A 44 5.395 3.291 3.342 1.00 0.00 H new ATOM 0 HA GLU A 44 4.912 5.441 1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.811 2.691 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.976 3.807 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.777 3.971 -0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.962 3.532 0.646 1.00 0.00 H new ATOM 780 N GLY A 45 3.222 5.591 4.133 1.00 0.00 N ATOM 781 CA GLY A 45 2.179 6.321 4.778 1.00 0.00 C ATOM 782 C GLY A 45 1.082 5.375 5.179 1.00 0.00 C ATOM 783 O GLY A 45 -0.084 5.760 5.275 1.00 0.00 O ATOM 0 H GLY A 45 3.906 5.162 4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.569 6.836 5.656 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.787 7.086 4.108 1.00 0.00 H new ATOM 787 N VAL A 46 1.451 4.098 5.322 1.00 0.00 N ATOM 788 CA VAL A 46 0.456 3.073 5.606 1.00 0.00 C ATOM 789 C VAL A 46 0.995 1.842 6.341 1.00 0.00 C ATOM 790 O VAL A 46 2.191 1.652 6.458 1.00 0.00 O ATOM 791 CB VAL A 46 -0.200 2.650 4.294 1.00 0.00 C ATOM 792 CG1 VAL A 46 -1.376 3.569 3.984 1.00 0.00 C ATOM 793 CG2 VAL A 46 0.823 2.677 3.155 1.00 0.00 C ATOM 0 H VAL A 46 2.410 3.760 5.247 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.265 3.522 6.290 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.571 1.630 4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.840 3.262 3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.108 3.507 4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.022 4.596 3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.341 2.373 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.219 3.687 3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.639 1.990 3.382 1.00 0.00 H new ATOM 803 N ASP A 47 0.078 1.001 6.825 1.00 0.00 N ATOM 804 CA ASP A 47 0.438 -0.226 7.550 1.00 0.00 C ATOM 805 C ASP A 47 0.841 -1.371 6.609 1.00 0.00 C ATOM 806 O ASP A 47 0.870 -1.217 5.390 1.00 0.00 O ATOM 807 CB ASP A 47 -0.736 -0.689 8.404 1.00 0.00 C ATOM 808 CG ASP A 47 -1.469 0.460 9.069 1.00 0.00 C ATOM 809 OD1 ASP A 47 -2.073 1.278 8.344 1.00 0.00 O ATOM 810 OD2 ASP A 47 -1.441 0.539 10.315 1.00 0.00 O ATOM 0 H ASP A 47 -0.927 1.147 6.728 1.00 0.00 H new ATOM 0 HA ASP A 47 1.298 0.019 8.173 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.435 -1.247 7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.374 -1.375 9.170 1.00 0.00 H new ATOM 815 N LYS A 48 1.148 -2.528 7.212 1.00 0.00 N ATOM 816 CA LYS A 48 1.554 -3.731 6.481 1.00 0.00 C ATOM 817 C LYS A 48 0.404 -4.342 5.675 1.00 0.00 C ATOM 818 O LYS A 48 0.625 -5.002 4.664 1.00 0.00 O ATOM 819 CB LYS A 48 2.111 -4.769 7.454 1.00 0.00 C ATOM 820 CG LYS A 48 1.110 -5.216 8.509 1.00 0.00 C ATOM 821 CD LYS A 48 0.312 -6.426 8.048 1.00 0.00 C ATOM 822 CE LYS A 48 0.799 -7.704 8.712 1.00 0.00 C ATOM 823 NZ LYS A 48 2.273 -7.872 8.579 1.00 0.00 N ATOM 0 H LYS A 48 1.121 -2.654 8.224 1.00 0.00 H new ATOM 0 HA LYS A 48 2.326 -3.432 5.772 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.445 -5.640 6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.989 -4.355 7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.637 -5.457 9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.429 -4.396 8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.743 -6.276 8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.392 -6.524 6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.529 -7.690 9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.294 -8.560 8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.531 -8.856 8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.562 -7.642 7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.756 -7.235 9.244 1.00 0.00 H new ATOM 837 N GLU A 49 -0.821 -4.136 6.128 1.00 0.00 N ATOM 838 CA GLU A 49 -1.979 -4.683 5.426 1.00 0.00 C ATOM 839 C GLU A 49 -2.194 -3.932 4.117 1.00 0.00 C ATOM 840 O GLU A 49 -2.533 -4.514 3.090 1.00 0.00 O ATOM 841 CB GLU A 49 -3.234 -4.574 6.297 1.00 0.00 C ATOM 842 CG GLU A 49 -3.702 -5.901 6.879 1.00 0.00 C ATOM 843 CD GLU A 49 -3.793 -6.999 5.839 1.00 0.00 C ATOM 844 OE1 GLU A 49 -4.870 -7.149 5.225 1.00 0.00 O ATOM 845 OE2 GLU A 49 -2.786 -7.710 5.635 1.00 0.00 O ATOM 0 H GLU A 49 -1.043 -3.601 6.968 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.791 -5.735 5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.037 -3.880 7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.040 -4.145 5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.015 -6.209 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.679 -5.765 7.343 1.00 0.00 H new ATOM 852 N LEU A 50 -2.011 -2.625 4.193 1.00 0.00 N ATOM 853 CA LEU A 50 -2.189 -1.718 3.088 1.00 0.00 C ATOM 854 C LEU A 50 -1.053 -1.761 2.082 1.00 0.00 C ATOM 855 O LEU A 50 -1.007 -0.900 1.224 1.00 0.00 O ATOM 856 CB LEU A 50 -2.296 -0.273 3.627 1.00 0.00 C ATOM 857 CG LEU A 50 -2.564 -0.085 5.136 1.00 0.00 C ATOM 858 CD1 LEU A 50 -3.033 1.337 5.410 1.00 0.00 C ATOM 859 CD2 LEU A 50 -3.589 -1.076 5.669 1.00 0.00 C ATOM 0 H LEU A 50 -1.726 -2.158 5.054 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.098 -2.031 2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.368 0.244 3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.093 0.230 3.080 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.625 -0.273 5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.219 1.459 6.477 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.264 2.041 5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.952 1.530 4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.743 -0.903 6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.533 -0.943 5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.227 -2.092 5.515 1.00 0.00 H new ATOM 871 N VAL A 51 -0.133 -2.716 2.160 1.00 0.00 N ATOM 872 CA VAL A 51 0.970 -2.698 1.198 1.00 0.00 C ATOM 873 C VAL A 51 0.690 -3.452 -0.099 1.00 0.00 C ATOM 874 O VAL A 51 0.618 -4.680 -0.125 1.00 0.00 O ATOM 875 CB VAL A 51 2.250 -3.303 1.805 1.00 0.00 C ATOM 876 CG1 VAL A 51 3.471 -2.560 1.299 1.00 0.00 C ATOM 877 CG2 VAL A 51 2.195 -3.306 3.327 1.00 0.00 C ATOM 0 H VAL A 51 -0.121 -3.476 2.840 1.00 0.00 H new ATOM 0 HA VAL A 51 1.095 -1.641 0.961 1.00 0.00 H new ATOM 0 HB VAL A 51 2.323 -4.342 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.369 -2.997 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.520 -2.638 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.403 -1.510 1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.113 -3.739 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.090 -2.283 3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.342 -3.898 3.659 1.00 0.00 H new ATOM 887 N ILE A 52 0.639 -2.683 -1.184 1.00 0.00 N ATOM 888 CA ILE A 52 0.489 -3.219 -2.530 1.00 0.00 C ATOM 889 C ILE A 52 1.516 -2.536 -3.453 1.00 0.00 C ATOM 890 O ILE A 52 1.343 -1.369 -3.797 1.00 0.00 O ATOM 891 CB ILE A 52 -0.966 -3.060 -3.062 1.00 0.00 C ATOM 892 CG1 ILE A 52 -1.614 -4.433 -3.243 1.00 0.00 C ATOM 893 CG2 ILE A 52 -1.018 -2.293 -4.374 1.00 0.00 C ATOM 894 CD1 ILE A 52 -3.125 -4.408 -3.145 1.00 0.00 C ATOM 0 H ILE A 52 0.701 -1.665 -1.151 1.00 0.00 H new ATOM 0 HA ILE A 52 0.682 -4.292 -2.510 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.519 -2.485 -2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.328 -4.835 -4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.220 -5.114 -2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.053 -2.208 -4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.600 -1.297 -4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.438 -2.824 -5.129 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.515 -5.416 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.420 -4.036 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.529 -3.754 -3.917 1.00 0.00 H new ATOM 906 N VAL A 53 2.580 -3.215 -3.858 1.00 0.00 N ATOM 907 CA VAL A 53 3.552 -2.553 -4.731 1.00 0.00 C ATOM 908 C VAL A 53 3.972 -3.444 -5.901 1.00 0.00 C ATOM 909 O VAL A 53 4.609 -4.482 -5.721 1.00 0.00 O ATOM 910 CB VAL A 53 4.789 -2.088 -3.932 1.00 0.00 C ATOM 911 CG1 VAL A 53 4.366 -1.199 -2.755 1.00 0.00 C ATOM 912 CG2 VAL A 53 5.600 -3.281 -3.446 1.00 0.00 C ATOM 0 H VAL A 53 2.792 -4.182 -3.612 1.00 0.00 H new ATOM 0 HA VAL A 53 3.059 -1.675 -5.148 1.00 0.00 H new ATOM 0 HB VAL A 53 5.423 -1.499 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.250 -0.881 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.839 -0.323 -3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.708 -1.761 -2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.466 -2.928 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.980 -3.904 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.935 -3.866 -4.302 1.00 0.00 H new ATOM 922 N ASP A 54 3.595 -3.020 -7.108 1.00 0.00 N ATOM 923 CA ASP A 54 3.910 -3.755 -8.332 1.00 0.00 C ATOM 924 C ASP A 54 4.822 -2.967 -9.278 1.00 0.00 C ATOM 925 O ASP A 54 4.825 -1.735 -9.276 1.00 0.00 O ATOM 926 CB ASP A 54 2.620 -4.134 -9.061 1.00 0.00 C ATOM 927 CG ASP A 54 1.736 -5.048 -8.235 1.00 0.00 C ATOM 928 OD1 ASP A 54 1.070 -4.548 -7.303 1.00 0.00 O ATOM 929 OD2 ASP A 54 1.710 -6.264 -8.520 1.00 0.00 O ATOM 0 H ASP A 54 3.066 -2.162 -7.264 1.00 0.00 H new ATOM 0 HA ASP A 54 4.451 -4.653 -8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.068 -3.228 -9.311 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.868 -4.626 -10.001 1.00 0.00 H new ATOM 934 N ASN A 55 5.549 -3.697 -10.123 1.00 0.00 N ATOM 935 CA ASN A 55 6.426 -3.100 -11.132 1.00 0.00 C ATOM 936 C ASN A 55 7.597 -2.320 -10.528 1.00 0.00 C ATOM 937 O ASN A 55 8.629 -2.908 -10.208 1.00 0.00 O ATOM 938 CB ASN A 55 5.611 -2.200 -12.067 1.00 0.00 C ATOM 939 CG ASN A 55 5.002 -2.969 -13.221 1.00 0.00 C ATOM 940 OD1 ASN A 55 4.840 -4.187 -13.155 1.00 0.00 O ATOM 941 ND2 ASN A 55 4.662 -2.258 -14.291 1.00 0.00 N ATOM 0 H ASN A 55 5.547 -4.717 -10.128 1.00 0.00 H new ATOM 0 HA ASN A 55 6.863 -3.923 -11.698 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.818 -1.714 -11.499 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.253 -1.411 -12.458 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.249 -2.721 -15.101 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.814 -1.249 -14.303 1.00 0.00 H new ATOM 948 N ASN A 56 7.441 -0.993 -10.409 1.00 0.00 N ATOM 949 CA ASN A 56 8.490 -0.117 -9.877 1.00 0.00 C ATOM 950 C ASN A 56 9.371 0.413 -11.014 1.00 0.00 C ATOM 951 O ASN A 56 10.082 -0.352 -11.667 1.00 0.00 O ATOM 952 CB ASN A 56 9.355 -0.842 -8.838 1.00 0.00 C ATOM 953 CG ASN A 56 8.523 -1.586 -7.811 1.00 0.00 C ATOM 954 OD1 ASN A 56 7.382 -1.221 -7.536 1.00 0.00 O ATOM 955 ND2 ASN A 56 9.096 -2.640 -7.236 1.00 0.00 N ATOM 0 H ASN A 56 6.589 -0.501 -10.678 1.00 0.00 H new ATOM 0 HA ASN A 56 8.000 0.722 -9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.015 -1.546 -9.346 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.992 -0.118 -8.330 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.586 -3.180 -6.537 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.046 -2.908 -7.494 1.00 0.00 H new ATOM 962 N LYS A 57 9.316 1.727 -11.249 1.00 0.00 N ATOM 963 CA LYS A 57 10.105 2.354 -12.310 1.00 0.00 C ATOM 964 C LYS A 57 11.564 2.497 -11.878 1.00 0.00 C ATOM 965 O LYS A 57 11.885 3.227 -10.946 1.00 0.00 O ATOM 966 CB LYS A 57 9.510 3.730 -12.668 1.00 0.00 C ATOM 967 CG LYS A 57 9.888 4.857 -11.705 1.00 0.00 C ATOM 968 CD LYS A 57 8.719 5.801 -11.444 1.00 0.00 C ATOM 969 CE LYS A 57 9.108 6.928 -10.491 1.00 0.00 C ATOM 970 NZ LYS A 57 8.721 8.263 -11.026 1.00 0.00 N ATOM 0 H LYS A 57 8.734 2.375 -10.719 1.00 0.00 H new ATOM 0 HA LYS A 57 10.071 1.718 -13.194 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.837 4.002 -13.672 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.424 3.645 -12.698 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.226 4.429 -10.761 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.725 5.421 -12.117 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.375 6.224 -12.388 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.885 5.240 -11.023 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.627 6.770 -9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.184 6.903 -10.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.002 9.002 -10.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.200 8.425 -11.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.691 8.295 -11.166 1.00 0.00 H new ATOM 984 N GLN A 58 12.448 1.779 -12.555 1.00 0.00 N ATOM 985 CA GLN A 58 13.863 1.810 -12.219 1.00 0.00 C ATOM 986 C GLN A 58 14.612 2.915 -12.961 1.00 0.00 C ATOM 987 O GLN A 58 14.504 3.048 -14.180 1.00 0.00 O ATOM 988 CB GLN A 58 14.507 0.457 -12.535 1.00 0.00 C ATOM 989 CG GLN A 58 15.732 0.155 -11.686 1.00 0.00 C ATOM 990 CD GLN A 58 16.903 -0.354 -12.507 1.00 0.00 C ATOM 991 OE1 GLN A 58 16.905 -0.262 -13.735 1.00 0.00 O ATOM 992 NE2 GLN A 58 17.909 -0.896 -11.830 1.00 0.00 N ATOM 0 H GLN A 58 12.211 1.170 -13.338 1.00 0.00 H new ATOM 0 HA GLN A 58 13.934 2.020 -11.152 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.769 -0.331 -12.387 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.790 0.435 -13.587 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.032 1.058 -11.154 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.472 -0.588 -10.932 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.867 -0.953 -10.812 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.723 -1.256 -12.328 1.00 0.00 H new ATOM 1063 N HIS A 63 21.949 1.270 -7.236 1.00 0.00 N ATOM 1064 CA HIS A 63 21.547 -0.126 -7.076 1.00 0.00 C ATOM 1065 C HIS A 63 20.272 -0.235 -6.245 1.00 0.00 C ATOM 1066 O HIS A 63 20.103 -1.177 -5.468 1.00 0.00 O ATOM 1067 CB HIS A 63 22.669 -0.928 -6.417 1.00 0.00 C ATOM 1068 CG HIS A 63 23.809 -1.236 -7.338 1.00 0.00 C ATOM 1069 ND1 HIS A 63 24.529 -2.412 -7.280 1.00 0.00 N ATOM 1070 CD2 HIS A 63 24.355 -0.515 -8.347 1.00 0.00 C ATOM 1071 CE1 HIS A 63 25.467 -2.399 -8.209 1.00 0.00 C ATOM 1072 NE2 HIS A 63 25.383 -1.261 -8.871 1.00 0.00 N ATOM 0 HA HIS A 63 21.349 -0.536 -8.066 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.046 -0.371 -5.559 1.00 0.00 H new ATOM 0 HB3 HIS A 63 22.259 -1.863 -6.035 1.00 0.00 H new ATOM 0 HD2 HIS A 63 24.041 0.464 -8.678 1.00 0.00 H new ATOM 0 HE1 HIS A 63 26.182 -3.187 -8.395 1.00 0.00 H new ATOM 0 HE2 HIS A 63 25.984 -0.980 -9.646 1.00 0.00 H new ATOM 1081 N GLU A 64 19.384 0.741 -6.401 1.00 0.00 N ATOM 1082 CA GLU A 64 18.143 0.789 -5.679 1.00 0.00 C ATOM 1083 C GLU A 64 17.016 0.940 -6.684 1.00 10.00 C ATOM 1084 O GLU A 64 17.257 1.353 -7.819 1.00 10.00 O ATOM 1085 CB GLU A 64 18.207 1.917 -4.666 1.00 0.00 C ATOM 1086 CG GLU A 64 19.471 1.831 -3.816 1.00 0.00 C ATOM 1087 CD GLU A 64 19.870 3.163 -3.212 1.00 0.00 C ATOM 1088 OE1 GLU A 64 19.235 4.184 -3.552 1.00 0.00 O ATOM 1089 OE2 GLU A 64 20.816 3.186 -2.396 1.00 0.00 O ATOM 0 H GLU A 64 19.518 1.523 -7.042 1.00 0.00 H new ATOM 0 HA GLU A 64 17.958 -0.126 -5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 64 18.180 2.875 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.329 1.879 -4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 64 19.316 1.107 -3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.290 1.457 -4.430 1.00 0.00 H new ATOM 1096 N ILE A 65 15.807 0.552 -6.317 1.00 10.00 N ATOM 1097 CA ILE A 65 14.711 0.601 -7.268 1.00 0.00 C ATOM 1098 C ILE A 65 13.688 1.653 -6.888 1.00 0.00 C ATOM 1099 O ILE A 65 13.378 1.860 -5.718 1.00 0.00 O ATOM 1100 CB ILE A 65 14.010 -0.770 -7.382 1.00 0.00 C ATOM 1101 CG1 ILE A 65 13.371 -0.927 -8.762 1.00 0.00 C ATOM 1102 CG2 ILE A 65 12.967 -0.940 -6.287 1.00 0.00 C ATOM 1103 CD1 ILE A 65 12.575 -2.205 -8.918 1.00 0.00 C ATOM 0 H ILE A 65 15.562 0.207 -5.389 1.00 10.00 H new ATOM 0 HA ILE A 65 15.145 0.865 -8.233 1.00 0.00 H new ATOM 0 HB ILE A 65 14.761 -1.549 -7.256 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.717 -0.076 -8.949 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.153 -0.901 -9.521 1.00 0.00 H new ATOM 0 HG21 ILE A 65 12.488 -1.914 -6.389 1.00 0.00 H new ATOM 0 HG22 ILE A 65 13.449 -0.874 -5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 65 12.216 -0.155 -6.375 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.151 -2.249 -9.921 1.00 0.00 H new ATOM 0 HD12 ILE A 65 13.230 -3.063 -8.763 1.00 0.00 H new ATOM 0 HD13 ILE A 65 11.771 -2.225 -8.183 1.00 0.00 H new ATOM 1115 N GLU A 66 13.215 2.333 -7.918 1.00 0.00 N ATOM 1116 CA GLU A 66 12.263 3.417 -7.787 1.00 0.00 C ATOM 1117 C GLU A 66 10.963 3.078 -8.483 1.00 0.00 C ATOM 1118 O GLU A 66 10.901 2.140 -9.279 1.00 0.00 O ATOM 1119 CB GLU A 66 12.857 4.680 -8.415 1.00 0.00 C ATOM 1120 CG GLU A 66 11.996 5.913 -8.249 1.00 0.00 C ATOM 1121 CD GLU A 66 12.800 7.196 -8.294 1.00 0.00 C ATOM 1122 OE1 GLU A 66 13.018 7.722 -9.406 1.00 0.00 O ATOM 1123 OE2 GLU A 66 13.210 7.677 -7.217 1.00 0.00 O ATOM 0 H GLU A 66 13.487 2.143 -8.882 1.00 0.00 H new ATOM 0 HA GLU A 66 12.058 3.579 -6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.834 4.869 -7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.019 4.503 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.242 5.934 -9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.464 5.855 -7.299 1.00 0.00 H new ATOM 1130 N GLY A 67 9.920 3.830 -8.181 1.00 0.00 N ATOM 1131 CA GLY A 67 8.646 3.578 -8.805 1.00 0.00 C ATOM 1132 C GLY A 67 7.501 4.223 -8.083 1.00 0.00 C ATOM 1133 O GLY A 67 7.682 5.183 -7.336 1.00 0.00 O ATOM 0 H GLY A 67 9.934 4.606 -7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.672 3.943 -9.832 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.478 2.502 -8.853 1.00 0.00 H new ATOM 1137 N TYR A 68 6.322 3.671 -8.286 1.00 0.00 N ATOM 1138 CA TYR A 68 5.142 4.174 -7.631 1.00 0.00 C ATOM 1139 C TYR A 68 4.504 3.040 -6.864 1.00 0.00 C ATOM 1140 O TYR A 68 4.366 1.926 -7.368 1.00 0.00 O ATOM 1141 CB TYR A 68 4.152 4.752 -8.649 1.00 0.00 C ATOM 1142 CG TYR A 68 4.115 3.997 -9.960 1.00 0.00 C ATOM 1143 CD1 TYR A 68 3.516 2.747 -10.046 1.00 0.00 C ATOM 1144 CD2 TYR A 68 4.678 4.536 -11.109 1.00 0.00 C ATOM 1145 CE1 TYR A 68 3.480 2.054 -11.242 1.00 0.00 C ATOM 1146 CE2 TYR A 68 4.646 3.850 -12.308 1.00 0.00 C ATOM 1147 CZ TYR A 68 4.047 2.610 -12.369 1.00 0.00 C ATOM 1148 OH TYR A 68 4.013 1.923 -13.561 1.00 0.00 O ATOM 0 H TYR A 68 6.160 2.873 -8.901 1.00 0.00 H new ATOM 0 HA TYR A 68 5.419 4.979 -6.951 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.154 4.752 -8.212 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.413 5.792 -8.846 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.071 2.309 -9.165 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.149 5.507 -11.065 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.010 1.083 -11.293 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.088 4.283 -13.193 1.00 0.00 H new ATOM 0 HH TYR A 68 4.455 2.453 -14.257 1.00 0.00 H new ATOM 1158 N THR A 69 4.146 3.326 -5.634 1.00 0.00 N ATOM 1159 CA THR A 69 3.551 2.323 -4.766 1.00 0.00 C ATOM 1160 C THR A 69 2.062 2.604 -4.527 1.00 0.00 C ATOM 1161 O THR A 69 1.625 3.752 -4.490 1.00 0.00 O ATOM 1162 CB THR A 69 4.332 2.234 -3.436 1.00 0.00 C ATOM 1163 OG1 THR A 69 3.460 2.087 -2.337 1.00 0.00 O ATOM 1164 CG2 THR A 69 5.241 3.421 -3.184 1.00 0.00 C ATOM 0 H THR A 69 4.255 4.246 -5.206 1.00 0.00 H new ATOM 0 HA THR A 69 3.617 1.356 -5.264 1.00 0.00 H new ATOM 0 HB THR A 69 4.961 1.350 -3.537 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.888 1.303 -2.476 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.756 3.289 -2.233 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.974 3.495 -3.987 1.00 0.00 H new ATOM 0 HG23 THR A 69 4.646 4.334 -3.151 1.00 0.00 H new ATOM 1172 N LYS A 70 1.287 1.537 -4.381 1.00 0.00 N ATOM 1173 CA LYS A 70 -0.152 1.642 -4.139 1.00 0.00 C ATOM 1174 C LYS A 70 -0.479 0.955 -2.817 1.00 0.00 C ATOM 1175 O LYS A 70 0.108 -0.076 -2.500 1.00 0.00 O ATOM 1176 CB LYS A 70 -0.912 0.977 -5.278 1.00 0.00 C ATOM 1177 CG LYS A 70 -2.083 1.795 -5.798 1.00 0.00 C ATOM 1178 CD LYS A 70 -3.319 0.934 -6.006 1.00 0.00 C ATOM 1179 CE LYS A 70 -3.301 0.250 -7.364 1.00 0.00 C ATOM 1180 NZ LYS A 70 -3.832 1.135 -8.437 1.00 0.00 N ATOM 0 H LYS A 70 1.632 0.578 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.447 2.690 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.222 0.786 -6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.280 0.008 -4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.310 2.595 -5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.807 2.269 -6.740 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.376 0.182 -5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.213 1.552 -5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.281 -0.045 -7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.895 -0.663 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.710 0.673 -9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.843 1.314 -8.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.315 2.037 -8.430 1.00 0.00 H new ATOM 1194 N ILE A 71 -1.365 1.533 -2.005 1.00 0.00 N ATOM 1195 CA ILE A 71 -1.649 0.914 -0.701 1.00 0.00 C ATOM 1196 C ILE A 71 -3.130 0.805 -0.371 1.00 0.00 C ATOM 1197 O ILE A 71 -3.928 1.698 -0.704 1.00 0.00 O ATOM 1198 CB ILE A 71 -0.902 1.644 0.441 1.00 0.00 C ATOM 1199 CG1 ILE A 71 0.376 0.874 0.820 1.00 0.00 C ATOM 1200 CG2 ILE A 71 -1.786 1.859 1.660 1.00 0.00 C ATOM 1201 CD1 ILE A 71 1.648 1.666 0.650 1.00 0.00 C ATOM 0 H ILE A 71 -1.880 2.390 -2.209 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.278 -0.108 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.624 2.632 0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.298 0.552 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.438 -0.027 0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.218 2.375 2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.650 2.462 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.124 0.895 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.501 1.051 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.753 1.966 -0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.611 2.554 1.281 1.00 0.00 H new ATOM 1213 N TYR A 72 -3.474 -0.301 0.327 1.00 0.00 N ATOM 1214 CA TYR A 72 -4.862 -0.539 0.750 1.00 0.00 C ATOM 1215 C TYR A 72 -5.034 -0.496 2.282 1.00 0.00 C ATOM 1216 O TYR A 72 -4.552 -1.366 3.037 1.00 0.00 O ATOM 1217 CB TYR A 72 -5.421 -1.849 0.185 1.00 0.00 C ATOM 1218 CG TYR A 72 -4.513 -3.054 0.298 1.00 0.00 C ATOM 1219 CD1 TYR A 72 -3.281 -3.090 -0.342 1.00 0.00 C ATOM 1220 CD2 TYR A 72 -4.902 -4.169 1.031 1.00 0.00 C ATOM 1221 CE1 TYR A 72 -2.463 -4.201 -0.251 1.00 0.00 C ATOM 1222 CE2 TYR A 72 -4.093 -5.284 1.123 1.00 0.00 C ATOM 1223 CZ TYR A 72 -2.874 -5.294 0.480 1.00 0.00 C ATOM 1224 OH TYR A 72 -2.064 -6.403 0.568 1.00 0.00 O ATOM 0 H TYR A 72 -2.816 -1.030 0.603 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.441 0.285 0.333 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.357 -2.073 0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.661 -1.696 -0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.957 -2.237 -0.920 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.855 -4.163 1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -1.506 -4.212 -0.751 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.413 -6.142 1.695 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.141 -6.151 0.358 1.00 0.00 H new ATOM 1234 N ALA A 73 -5.731 0.552 2.714 1.00 0.00 N ATOM 1235 CA ALA A 73 -6.024 0.804 4.122 1.00 0.00 C ATOM 1236 C ALA A 73 -7.344 0.162 4.567 1.00 0.00 C ATOM 1237 O ALA A 73 -7.720 0.248 5.734 1.00 0.00 O ATOM 1238 CB ALA A 73 -6.052 2.300 4.383 1.00 0.00 C ATOM 0 H ALA A 73 -6.113 1.260 2.087 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.230 0.343 4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.271 2.482 5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.082 2.731 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.823 2.762 3.767 1.00 0.00 H new ATOM 1244 N ASP A 74 -8.068 -0.423 3.616 1.00 0.00 N ATOM 1245 CA ASP A 74 -9.378 -1.022 3.877 1.00 0.00 C ATOM 1246 C ASP A 74 -9.308 -2.344 4.642 1.00 0.00 C ATOM 1247 O ASP A 74 -10.343 -2.941 4.933 1.00 0.00 O ATOM 1248 CB ASP A 74 -10.130 -1.228 2.561 1.00 0.00 C ATOM 1249 CG ASP A 74 -9.435 -2.219 1.649 1.00 0.00 C ATOM 1250 OD1 ASP A 74 -9.729 -3.428 1.753 1.00 0.00 O ATOM 1251 OD2 ASP A 74 -8.596 -1.786 0.831 1.00 0.00 O ATOM 0 H ASP A 74 -7.766 -0.496 2.645 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.912 -0.320 4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.140 -1.580 2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.227 -0.272 2.047 1.00 0.00 H new