USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 CYS N :NH3+ 148:sc= 0.00995 (180deg=0) USER MOD Single : A 1 CYS SG : rot 116:sc= -0.808 USER MOD Single : A 5 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.038) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 9 LYS NZ :NH3+ -152:sc= -0.742 (180deg=-1.76) USER MOD Single : A 15 HIS : no HD1:sc= -0.0609 X(o=-0.061,f=-0.54) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 23 LYS NZ :NH3+ 156:sc= 0.0654 (180deg=0.00455) USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00426 USER MOD Single : A 29 GLN : amide:sc= -1.92 K(o=-1.9,f=-9.5!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HE2:sc= -8.17! C(o=-8.2!,f=-17!) USER MOD Single : B 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 CYS SG : rot 180:sc= 0 USER MOD Single : B 5 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.04) USER MOD Single : B 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.083 K(o=-0.083,f=-0.6) USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.183 USER MOD Single : B 29 GLN : amide:sc= -1.66 K(o=-1.7,f=-10!) USER MOD Single : B 30 GLN : amide:sc= -0.0694 X(o=-0.069,f=0) USER MOD Single : B 31 HIS : no HE2:sc= -7.67! C(o=-7.7!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 12.391 21.352 5.625 1.00 4.71 N ATOM 2 CA CYS A 1 11.911 21.146 4.233 1.00 4.20 C ATOM 3 C CYS A 1 10.484 20.606 4.217 1.00 3.72 C ATOM 4 O CYS A 1 9.827 20.528 5.256 1.00 4.32 O ATOM 5 CB CYS A 1 12.855 20.166 3.532 1.00 4.04 C ATOM 6 SG CYS A 1 14.115 20.963 2.510 1.00 4.94 S ATOM 0 H1 CYS A 1 13.417 21.185 5.667 1.00 4.71 H new ATOM 0 H2 CYS A 1 12.186 22.327 5.922 1.00 4.71 H new ATOM 0 H3 CYS A 1 11.906 20.688 6.261 1.00 4.71 H new ATOM 0 HA CYS A 1 11.906 22.102 3.710 1.00 4.20 H new ATOM 0 HB2 CYS A 1 13.348 19.551 4.285 1.00 4.04 H new ATOM 0 HB3 CYS A 1 12.266 19.494 2.907 1.00 4.04 H new ATOM 0 HG CYS A 1 15.293 20.711 2.998 1.00 4.94 H new ATOM 12 N GLY A 2 10.010 20.236 3.032 1.00 3.04 N ATOM 13 CA GLY A 2 8.664 19.710 2.903 1.00 2.89 C ATOM 14 C GLY A 2 7.605 20.782 3.072 1.00 2.25 C ATOM 15 O GLY A 2 7.869 21.963 2.844 1.00 2.72 O ATOM 0 H GLY A 2 10.534 20.291 2.159 1.00 3.04 H new ATOM 0 HA2 GLY A 2 8.552 19.243 1.924 1.00 2.89 H new ATOM 0 HA3 GLY A 2 8.509 18.930 3.648 1.00 2.89 H new ATOM 19 N GLY A 3 6.403 20.371 3.469 1.00 1.84 N ATOM 20 CA GLY A 3 5.316 21.317 3.658 1.00 1.56 C ATOM 21 C GLY A 3 5.176 22.273 2.490 1.00 1.41 C ATOM 22 O GLY A 3 4.918 23.462 2.677 1.00 1.64 O ATOM 0 H GLY A 3 6.162 19.399 3.663 1.00 1.84 H new ATOM 0 HA2 GLY A 3 4.382 20.772 3.792 1.00 1.56 H new ATOM 0 HA3 GLY A 3 5.487 21.886 4.572 1.00 1.56 H new ATOM 26 N ASP A 4 5.361 21.751 1.282 1.00 1.16 N ATOM 27 CA ASP A 4 5.270 22.562 0.077 1.00 1.32 C ATOM 28 C ASP A 4 4.236 21.991 -0.892 1.00 1.31 C ATOM 29 O ASP A 4 3.079 22.410 -0.907 1.00 1.72 O ATOM 30 CB ASP A 4 6.640 22.636 -0.600 1.00 1.55 C ATOM 31 CG ASP A 4 7.611 23.522 0.155 1.00 2.07 C ATOM 32 OD1 ASP A 4 7.150 24.357 0.962 1.00 2.71 O ATOM 33 OD2 ASP A 4 8.834 23.383 -0.061 1.00 2.50 O ATOM 0 H ASP A 4 5.575 20.768 1.113 1.00 1.16 H new ATOM 0 HA ASP A 4 4.950 23.565 0.360 1.00 1.32 H new ATOM 0 HB2 ASP A 4 7.057 21.632 -0.681 1.00 1.55 H new ATOM 0 HB3 ASP A 4 6.521 23.015 -1.615 1.00 1.55 H new ATOM 38 N ASN A 5 4.670 21.028 -1.694 1.00 1.09 N ATOM 39 CA ASN A 5 3.804 20.378 -2.669 1.00 1.25 C ATOM 40 C ASN A 5 4.154 18.900 -2.753 1.00 1.13 C ATOM 41 O ASN A 5 3.274 18.038 -2.754 1.00 1.48 O ATOM 42 CB ASN A 5 3.955 21.034 -4.043 1.00 1.53 C ATOM 43 CG ASN A 5 2.655 21.043 -4.824 1.00 2.03 C ATOM 44 OD1 ASN A 5 2.594 20.558 -5.955 1.00 2.64 O ATOM 45 ND2 ASN A 5 1.607 21.595 -4.225 1.00 2.27 N ATOM 0 H ASN A 5 5.628 20.677 -1.688 1.00 1.09 H new ATOM 0 HA ASN A 5 2.767 20.487 -2.350 1.00 1.25 H new ATOM 0 HB2 ASN A 5 4.308 22.058 -3.917 1.00 1.53 H new ATOM 0 HB3 ASN A 5 4.716 20.503 -4.615 1.00 1.53 H new ATOM 0 HD21 ASN A 5 0.706 21.629 -4.702 1.00 2.27 H new ATOM 0 HD22 ASN A 5 1.702 21.985 -3.287 1.00 2.27 H new ATOM 52 N ILE A 6 5.451 18.618 -2.798 1.00 0.80 N ATOM 53 CA ILE A 6 5.933 17.247 -2.852 1.00 0.71 C ATOM 54 C ILE A 6 5.572 16.528 -1.565 1.00 0.63 C ATOM 55 O ILE A 6 4.982 15.447 -1.579 1.00 0.60 O ATOM 56 CB ILE A 6 7.464 17.178 -3.037 1.00 0.75 C ATOM 57 CG1 ILE A 6 7.964 18.314 -3.939 1.00 1.10 C ATOM 58 CG2 ILE A 6 7.854 15.825 -3.603 1.00 1.03 C ATOM 59 CD1 ILE A 6 9.397 18.146 -4.399 1.00 1.80 C ATOM 0 H ILE A 6 6.187 19.324 -2.798 1.00 0.80 H new ATOM 0 HA ILE A 6 5.459 16.771 -3.710 1.00 0.71 H new ATOM 0 HB ILE A 6 7.938 17.301 -2.063 1.00 0.75 H new ATOM 0 HG12 ILE A 6 7.317 18.382 -4.814 1.00 1.10 H new ATOM 0 HG13 ILE A 6 7.873 19.258 -3.402 1.00 1.10 H new ATOM 0 HG21 ILE A 6 8.936 15.782 -3.731 1.00 1.03 H new ATOM 0 HG22 ILE A 6 7.539 15.039 -2.917 1.00 1.03 H new ATOM 0 HG23 ILE A 6 7.368 15.681 -4.568 1.00 1.03 H new ATOM 0 HD11 ILE A 6 9.677 18.988 -5.032 1.00 1.80 H new ATOM 0 HD12 ILE A 6 10.056 18.109 -3.531 1.00 1.80 H new ATOM 0 HD13 ILE A 6 9.491 17.219 -4.965 1.00 1.80 H new ATOM 71 N GLU A 7 5.933 17.151 -0.450 1.00 0.66 N ATOM 72 CA GLU A 7 5.655 16.595 0.869 1.00 0.63 C ATOM 73 C GLU A 7 4.168 16.296 1.034 1.00 0.59 C ATOM 74 O GLU A 7 3.788 15.330 1.696 1.00 0.56 O ATOM 75 CB GLU A 7 6.113 17.564 1.962 1.00 0.76 C ATOM 76 CG GLU A 7 5.956 17.006 3.368 1.00 0.78 C ATOM 77 CD GLU A 7 7.284 16.823 4.075 1.00 1.41 C ATOM 78 OE1 GLU A 7 8.125 16.052 3.570 1.00 2.15 O ATOM 79 OE2 GLU A 7 7.482 17.452 5.136 1.00 1.96 O ATOM 0 H GLU A 7 6.421 18.046 -0.433 1.00 0.66 H new ATOM 0 HA GLU A 7 6.208 15.661 0.963 1.00 0.63 H new ATOM 0 HB2 GLU A 7 7.159 17.820 1.795 1.00 0.76 H new ATOM 0 HB3 GLU A 7 5.542 18.489 1.880 1.00 0.76 H new ATOM 0 HG2 GLU A 7 5.327 17.677 3.953 1.00 0.78 H new ATOM 0 HG3 GLU A 7 5.440 16.047 3.319 1.00 0.78 H new ATOM 86 N GLN A 8 3.332 17.130 0.428 1.00 0.64 N ATOM 87 CA GLN A 8 1.888 16.950 0.505 1.00 0.64 C ATOM 88 C GLN A 8 1.433 15.855 -0.450 1.00 0.58 C ATOM 89 O GLN A 8 0.478 15.128 -0.171 1.00 0.60 O ATOM 90 CB GLN A 8 1.170 18.260 0.177 1.00 0.74 C ATOM 91 CG GLN A 8 -0.219 18.362 0.783 1.00 1.08 C ATOM 92 CD GLN A 8 -0.208 18.984 2.166 1.00 1.55 C ATOM 93 OE1 GLN A 8 0.687 18.721 2.970 1.00 2.21 O ATOM 94 NE2 GLN A 8 -1.204 19.816 2.450 1.00 2.21 N ATOM 0 H GLN A 8 3.629 17.937 -0.121 1.00 0.64 H new ATOM 0 HA GLN A 8 1.635 16.653 1.523 1.00 0.64 H new ATOM 0 HB2 GLN A 8 1.774 19.094 0.533 1.00 0.74 H new ATOM 0 HB3 GLN A 8 1.093 18.361 -0.906 1.00 0.74 H new ATOM 0 HG2 GLN A 8 -0.855 18.956 0.127 1.00 1.08 H new ATOM 0 HG3 GLN A 8 -0.661 17.367 0.840 1.00 1.08 H new ATOM 0 HE21 GLN A 8 -1.925 20.005 1.753 1.00 2.21 H new ATOM 0 HE22 GLN A 8 -1.248 20.265 3.365 1.00 2.21 H new ATOM 103 N LYS A 9 2.127 15.739 -1.578 1.00 0.56 N ATOM 104 CA LYS A 9 1.800 14.731 -2.576 1.00 0.54 C ATOM 105 C LYS A 9 1.950 13.329 -1.998 1.00 0.47 C ATOM 106 O LYS A 9 1.151 12.438 -2.288 1.00 0.52 O ATOM 107 CB LYS A 9 2.696 14.891 -3.806 1.00 0.59 C ATOM 108 CG LYS A 9 1.950 14.749 -5.124 1.00 0.86 C ATOM 109 CD LYS A 9 2.901 14.459 -6.274 1.00 1.16 C ATOM 110 CE LYS A 9 2.858 12.995 -6.680 1.00 1.65 C ATOM 111 NZ LYS A 9 3.283 12.099 -5.568 1.00 2.42 N ATOM 0 H LYS A 9 2.920 16.332 -1.822 1.00 0.56 H new ATOM 0 HA LYS A 9 0.761 14.872 -2.874 1.00 0.54 H new ATOM 0 HB2 LYS A 9 3.174 15.870 -3.772 1.00 0.59 H new ATOM 0 HB3 LYS A 9 3.491 14.146 -3.766 1.00 0.59 H new ATOM 0 HG2 LYS A 9 1.218 13.945 -5.044 1.00 0.86 H new ATOM 0 HG3 LYS A 9 1.396 15.665 -5.330 1.00 0.86 H new ATOM 0 HD2 LYS A 9 2.639 15.082 -7.129 1.00 1.16 H new ATOM 0 HD3 LYS A 9 3.917 14.727 -5.983 1.00 1.16 H new ATOM 0 HE2 LYS A 9 1.846 12.734 -6.991 1.00 1.65 H new ATOM 0 HE3 LYS A 9 3.507 12.838 -7.542 1.00 1.65 H new ATOM 0 HZ1 LYS A 9 3.693 11.228 -5.961 1.00 2.42 H new ATOM 0 HZ2 LYS A 9 3.994 12.584 -4.984 1.00 2.42 H new ATOM 0 HZ3 LYS A 9 2.459 11.859 -4.981 1.00 2.42 H new ATOM 125 N ILE A 10 2.977 13.137 -1.176 1.00 0.42 N ATOM 126 CA ILE A 10 3.221 11.839 -0.562 1.00 0.38 C ATOM 127 C ILE A 10 2.173 11.525 0.495 1.00 0.38 C ATOM 128 O ILE A 10 1.671 10.405 0.560 1.00 0.38 O ATOM 129 CB ILE A 10 4.613 11.748 0.084 1.00 0.40 C ATOM 130 CG1 ILE A 10 4.892 12.961 0.970 1.00 0.44 C ATOM 131 CG2 ILE A 10 5.686 11.604 -0.983 1.00 0.46 C ATOM 132 CD1 ILE A 10 6.142 12.818 1.811 1.00 0.95 C ATOM 0 H ILE A 10 3.650 13.860 -0.921 1.00 0.42 H new ATOM 0 HA ILE A 10 3.164 11.110 -1.370 1.00 0.38 H new ATOM 0 HB ILE A 10 4.633 10.861 0.718 1.00 0.40 H new ATOM 0 HG12 ILE A 10 4.986 13.847 0.341 1.00 0.44 H new ATOM 0 HG13 ILE A 10 4.038 13.125 1.627 1.00 0.44 H new ATOM 0 HG21 ILE A 10 6.665 11.541 -0.508 1.00 0.46 H new ATOM 0 HG22 ILE A 10 5.504 10.698 -1.562 1.00 0.46 H new ATOM 0 HG23 ILE A 10 5.659 12.469 -1.645 1.00 0.46 H new ATOM 0 HD11 ILE A 10 6.279 13.715 2.415 1.00 0.95 H new ATOM 0 HD12 ILE A 10 6.043 11.952 2.465 1.00 0.95 H new ATOM 0 HD13 ILE A 10 7.006 12.684 1.159 1.00 0.95 H new ATOM 144 N ASP A 11 1.837 12.515 1.320 1.00 0.41 N ATOM 145 CA ASP A 11 0.838 12.322 2.366 1.00 0.46 C ATOM 146 C ASP A 11 -0.416 11.692 1.776 1.00 0.46 C ATOM 147 O ASP A 11 -1.083 10.872 2.412 1.00 0.50 O ATOM 148 CB ASP A 11 0.494 13.657 3.029 1.00 0.54 C ATOM 149 CG ASP A 11 0.251 13.516 4.519 1.00 0.75 C ATOM 150 OD1 ASP A 11 -0.545 12.637 4.911 1.00 1.32 O ATOM 151 OD2 ASP A 11 0.857 14.285 5.295 1.00 1.48 O ATOM 0 H ASP A 11 2.239 13.452 1.284 1.00 0.41 H new ATOM 0 HA ASP A 11 1.249 11.655 3.124 1.00 0.46 H new ATOM 0 HB2 ASP A 11 1.307 14.363 2.861 1.00 0.54 H new ATOM 0 HB3 ASP A 11 -0.394 14.076 2.557 1.00 0.54 H new ATOM 156 N ASP A 12 -0.711 12.065 0.538 1.00 0.46 N ATOM 157 CA ASP A 12 -1.865 11.526 -0.164 1.00 0.51 C ATOM 158 C ASP A 12 -1.643 10.048 -0.430 1.00 0.48 C ATOM 159 O ASP A 12 -2.515 9.214 -0.176 1.00 0.52 O ATOM 160 CB ASP A 12 -2.093 12.273 -1.479 1.00 0.56 C ATOM 161 CG ASP A 12 -3.565 12.467 -1.786 1.00 0.70 C ATOM 162 OD1 ASP A 12 -4.391 11.706 -1.239 1.00 1.28 O ATOM 163 OD2 ASP A 12 -3.893 13.381 -2.572 1.00 1.41 O ATOM 0 H ASP A 12 -0.166 12.739 0.000 1.00 0.46 H new ATOM 0 HA ASP A 12 -2.752 11.655 0.456 1.00 0.51 H new ATOM 0 HB2 ASP A 12 -1.603 13.246 -1.431 1.00 0.56 H new ATOM 0 HB3 ASP A 12 -1.625 11.720 -2.293 1.00 0.56 H new ATOM 168 N ILE A 13 -0.453 9.729 -0.924 1.00 0.43 N ATOM 169 CA ILE A 13 -0.091 8.353 -1.207 1.00 0.44 C ATOM 170 C ILE A 13 -0.142 7.522 0.069 1.00 0.44 C ATOM 171 O ILE A 13 -0.715 6.440 0.087 1.00 0.47 O ATOM 172 CB ILE A 13 1.320 8.255 -1.819 1.00 0.42 C ATOM 173 CG1 ILE A 13 1.451 9.210 -3.007 1.00 0.44 C ATOM 174 CG2 ILE A 13 1.617 6.823 -2.242 1.00 0.48 C ATOM 175 CD1 ILE A 13 2.782 9.110 -3.724 1.00 0.47 C ATOM 0 H ILE A 13 0.277 10.409 -1.136 1.00 0.43 H new ATOM 0 HA ILE A 13 -0.810 7.967 -1.929 1.00 0.44 H new ATOM 0 HB ILE A 13 2.050 8.546 -1.063 1.00 0.42 H new ATOM 0 HG12 ILE A 13 0.650 9.005 -3.717 1.00 0.44 H new ATOM 0 HG13 ILE A 13 1.313 10.233 -2.657 1.00 0.44 H new ATOM 0 HG21 ILE A 13 2.617 6.771 -2.672 1.00 0.48 H new ATOM 0 HG22 ILE A 13 1.561 6.168 -1.373 1.00 0.48 H new ATOM 0 HG23 ILE A 13 0.886 6.504 -2.984 1.00 0.48 H new ATOM 0 HD11 ILE A 13 2.802 9.816 -4.554 1.00 0.47 H new ATOM 0 HD12 ILE A 13 3.588 9.344 -3.029 1.00 0.47 H new ATOM 0 HD13 ILE A 13 2.915 8.098 -4.105 1.00 0.47 H new ATOM 187 N ASP A 14 0.453 8.047 1.140 1.00 0.43 N ATOM 188 CA ASP A 14 0.469 7.356 2.427 1.00 0.47 C ATOM 189 C ASP A 14 -0.924 6.862 2.801 1.00 0.51 C ATOM 190 O ASP A 14 -1.073 5.821 3.443 1.00 0.55 O ATOM 191 CB ASP A 14 1.001 8.284 3.521 1.00 0.49 C ATOM 192 CG ASP A 14 1.842 7.548 4.544 1.00 0.61 C ATOM 193 OD1 ASP A 14 2.349 6.453 4.221 1.00 1.26 O ATOM 194 OD2 ASP A 14 1.995 8.067 5.671 1.00 1.29 O ATOM 0 H ASP A 14 0.930 8.949 1.141 1.00 0.43 H new ATOM 0 HA ASP A 14 1.128 6.493 2.336 1.00 0.47 H new ATOM 0 HB2 ASP A 14 1.597 9.074 3.065 1.00 0.49 H new ATOM 0 HB3 ASP A 14 0.163 8.767 4.023 1.00 0.49 H new ATOM 199 N HIS A 15 -1.941 7.610 2.388 1.00 0.51 N ATOM 200 CA HIS A 15 -3.319 7.239 2.675 1.00 0.56 C ATOM 201 C HIS A 15 -3.762 6.099 1.767 1.00 0.57 C ATOM 202 O HIS A 15 -4.616 5.290 2.135 1.00 0.62 O ATOM 203 CB HIS A 15 -4.243 8.443 2.489 1.00 0.59 C ATOM 204 CG HIS A 15 -5.599 8.255 3.094 1.00 0.73 C ATOM 205 ND1 HIS A 15 -5.894 7.245 3.986 1.00 0.87 N ATOM 206 CD2 HIS A 15 -6.747 8.956 2.932 1.00 0.98 C ATOM 207 CE1 HIS A 15 -7.162 7.333 4.345 1.00 1.04 C ATOM 208 NE2 HIS A 15 -7.702 8.362 3.720 1.00 1.11 N ATOM 0 H HIS A 15 -1.837 8.474 1.855 1.00 0.51 H new ATOM 0 HA HIS A 15 -3.377 6.906 3.711 1.00 0.56 H new ATOM 0 HB2 HIS A 15 -3.775 9.322 2.932 1.00 0.59 H new ATOM 0 HB3 HIS A 15 -4.354 8.644 1.424 1.00 0.59 H new ATOM 0 HD2 HIS A 15 -6.885 9.821 2.301 1.00 0.98 H new ATOM 0 HE1 HIS A 15 -7.671 6.674 5.033 1.00 1.04 H new ATOM 0 HE2 HIS A 15 -8.671 8.667 3.808 1.00 1.11 H new ATOM 217 N GLU A 16 -3.173 6.041 0.578 1.00 0.54 N ATOM 218 CA GLU A 16 -3.506 5.004 -0.386 1.00 0.57 C ATOM 219 C GLU A 16 -2.705 3.734 -0.120 1.00 0.57 C ATOM 220 O GLU A 16 -3.197 2.626 -0.318 1.00 0.63 O ATOM 221 CB GLU A 16 -3.241 5.499 -1.808 1.00 0.56 C ATOM 222 CG GLU A 16 -3.712 6.923 -2.052 1.00 0.57 C ATOM 223 CD GLU A 16 -3.107 7.534 -3.300 1.00 1.30 C ATOM 224 OE1 GLU A 16 -2.026 7.070 -3.724 1.00 2.07 O ATOM 225 OE2 GLU A 16 -3.712 8.474 -3.856 1.00 1.99 O ATOM 0 H GLU A 16 -2.463 6.701 0.260 1.00 0.54 H new ATOM 0 HA GLU A 16 -4.566 4.771 -0.280 1.00 0.57 H new ATOM 0 HB2 GLU A 16 -2.172 5.438 -2.012 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -3.738 4.834 -2.514 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -4.799 6.932 -2.138 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -3.455 7.539 -1.190 1.00 0.57 H new ATOM 232 N ILE A 17 -1.470 3.907 0.336 1.00 0.54 N ATOM 233 CA ILE A 17 -0.595 2.782 0.635 1.00 0.57 C ATOM 234 C ILE A 17 -1.166 1.942 1.772 1.00 0.59 C ATOM 235 O ILE A 17 -1.020 0.719 1.794 1.00 0.62 O ATOM 236 CB ILE A 17 0.817 3.260 1.030 1.00 0.59 C ATOM 237 CG1 ILE A 17 1.346 4.265 0.007 1.00 0.57 C ATOM 238 CG2 ILE A 17 1.765 2.076 1.152 1.00 0.66 C ATOM 239 CD1 ILE A 17 2.341 5.246 0.583 1.00 0.94 C ATOM 0 H ILE A 17 -1.051 4.821 0.507 1.00 0.54 H new ATOM 0 HA ILE A 17 -0.527 2.178 -0.270 1.00 0.57 H new ATOM 0 HB ILE A 17 0.756 3.754 2.000 1.00 0.59 H new ATOM 0 HG12 ILE A 17 1.816 3.723 -0.813 1.00 0.57 H new ATOM 0 HG13 ILE A 17 0.507 4.817 -0.415 1.00 0.57 H new ATOM 0 HG21 ILE A 17 2.757 2.431 1.431 1.00 0.66 H new ATOM 0 HG22 ILE A 17 1.396 1.392 1.916 1.00 0.66 H new ATOM 0 HG23 ILE A 17 1.822 1.556 0.196 1.00 0.66 H new ATOM 0 HD11 ILE A 17 2.674 5.928 -0.199 1.00 0.94 H new ATOM 0 HD12 ILE A 17 1.869 5.815 1.384 1.00 0.94 H new ATOM 0 HD13 ILE A 17 3.199 4.703 0.980 1.00 0.94 H new ATOM 251 N ALA A 18 -1.816 2.614 2.716 1.00 0.58 N ATOM 252 CA ALA A 18 -2.411 1.946 3.865 1.00 0.61 C ATOM 253 C ALA A 18 -3.737 1.286 3.497 1.00 0.62 C ATOM 254 O ALA A 18 -4.063 0.209 3.993 1.00 0.66 O ATOM 255 CB ALA A 18 -2.610 2.936 5.002 1.00 0.65 C ATOM 0 H ALA A 18 -1.944 3.626 2.706 1.00 0.58 H new ATOM 0 HA ALA A 18 -1.727 1.163 4.192 1.00 0.61 H new ATOM 0 HB1 ALA A 18 -3.056 2.425 5.856 1.00 0.65 H new ATOM 0 HB2 ALA A 18 -1.647 3.355 5.292 1.00 0.65 H new ATOM 0 HB3 ALA A 18 -3.271 3.739 4.674 1.00 0.65 H new ATOM 261 N ASP A 19 -4.498 1.940 2.624 1.00 0.61 N ATOM 262 CA ASP A 19 -5.789 1.413 2.193 1.00 0.64 C ATOM 263 C ASP A 19 -5.641 0.001 1.635 1.00 0.61 C ATOM 264 O ASP A 19 -6.406 -0.900 1.985 1.00 0.66 O ATOM 265 CB ASP A 19 -6.410 2.329 1.136 1.00 0.66 C ATOM 266 CG ASP A 19 -7.914 2.445 1.285 1.00 1.09 C ATOM 267 OD1 ASP A 19 -8.565 1.418 1.569 1.00 1.79 O ATOM 268 OD2 ASP A 19 -8.443 3.565 1.116 1.00 1.64 O ATOM 0 H ASP A 19 -4.244 2.833 2.202 1.00 0.61 H new ATOM 0 HA ASP A 19 -6.446 1.374 3.062 1.00 0.64 H new ATOM 0 HB2 ASP A 19 -5.963 3.320 1.210 1.00 0.66 H new ATOM 0 HB3 ASP A 19 -6.174 1.946 0.143 1.00 0.66 H new ATOM 273 N LEU A 20 -4.652 -0.186 0.769 1.00 0.56 N ATOM 274 CA LEU A 20 -4.403 -1.490 0.164 1.00 0.54 C ATOM 275 C LEU A 20 -3.981 -2.509 1.216 1.00 0.52 C ATOM 276 O LEU A 20 -4.548 -3.597 1.302 1.00 0.50 O ATOM 277 CB LEU A 20 -3.327 -1.380 -0.917 1.00 0.58 C ATOM 278 CG LEU A 20 -3.450 -0.166 -1.839 1.00 0.58 C ATOM 279 CD1 LEU A 20 -2.516 -0.310 -3.030 1.00 0.63 C ATOM 280 CD2 LEU A 20 -4.887 0.015 -2.308 1.00 0.62 C ATOM 0 H LEU A 20 -4.010 0.548 0.470 1.00 0.56 H new ATOM 0 HA LEU A 20 -5.332 -1.831 -0.293 1.00 0.54 H new ATOM 0 HB2 LEU A 20 -2.351 -1.351 -0.433 1.00 0.58 H new ATOM 0 HB3 LEU A 20 -3.354 -2.283 -1.527 1.00 0.58 H new ATOM 0 HG LEU A 20 -3.163 0.722 -1.275 1.00 0.58 H new ATOM 0 HD11 LEU A 20 -2.615 0.561 -3.677 1.00 0.63 H new ATOM 0 HD12 LEU A 20 -1.487 -0.386 -2.678 1.00 0.63 H new ATOM 0 HD13 LEU A 20 -2.776 -1.209 -3.589 1.00 0.63 H new ATOM 0 HD21 LEU A 20 -4.949 0.885 -2.962 1.00 0.62 H new ATOM 0 HD22 LEU A 20 -5.206 -0.873 -2.853 1.00 0.62 H new ATOM 0 HD23 LEU A 20 -5.536 0.163 -1.445 1.00 0.62 H new ATOM 292 N GLN A 21 -2.977 -2.150 2.012 1.00 0.54 N ATOM 293 CA GLN A 21 -2.473 -3.037 3.057 1.00 0.55 C ATOM 294 C GLN A 21 -3.610 -3.570 3.926 1.00 0.53 C ATOM 295 O GLN A 21 -3.554 -4.700 4.412 1.00 0.53 O ATOM 296 CB GLN A 21 -1.453 -2.301 3.928 1.00 0.60 C ATOM 297 CG GLN A 21 -0.298 -3.177 4.384 1.00 0.87 C ATOM 298 CD GLN A 21 -0.589 -3.897 5.685 1.00 1.25 C ATOM 299 OE1 GLN A 21 -1.003 -5.057 5.688 1.00 1.99 O ATOM 300 NE2 GLN A 21 -0.377 -3.212 6.802 1.00 1.74 N ATOM 0 H GLN A 21 -2.497 -1.252 1.953 1.00 0.54 H new ATOM 0 HA GLN A 21 -1.988 -3.884 2.572 1.00 0.55 H new ATOM 0 HB2 GLN A 21 -1.056 -1.453 3.370 1.00 0.60 H new ATOM 0 HB3 GLN A 21 -1.960 -1.897 4.804 1.00 0.60 H new ATOM 0 HG2 GLN A 21 -0.076 -3.911 3.609 1.00 0.87 H new ATOM 0 HG3 GLN A 21 0.594 -2.562 4.505 1.00 0.87 H new ATOM 0 HE21 GLN A 21 -0.033 -2.253 6.755 1.00 1.74 H new ATOM 0 HE22 GLN A 21 -0.558 -3.645 7.708 1.00 1.74 H new ATOM 309 N ALA A 22 -4.640 -2.753 4.113 1.00 0.55 N ATOM 310 CA ALA A 22 -5.790 -3.146 4.919 1.00 0.57 C ATOM 311 C ALA A 22 -6.652 -4.163 4.181 1.00 0.55 C ATOM 312 O ALA A 22 -7.291 -5.016 4.798 1.00 0.65 O ATOM 313 CB ALA A 22 -6.614 -1.924 5.293 1.00 0.65 C ATOM 0 H ALA A 22 -4.703 -1.815 3.718 1.00 0.55 H new ATOM 0 HA ALA A 22 -5.422 -3.614 5.832 1.00 0.57 H new ATOM 0 HB1 ALA A 22 -7.469 -2.232 5.895 1.00 0.65 H new ATOM 0 HB2 ALA A 22 -5.998 -1.231 5.866 1.00 0.65 H new ATOM 0 HB3 ALA A 22 -6.966 -1.432 4.387 1.00 0.65 H new ATOM 319 N LYS A 23 -6.666 -4.066 2.855 1.00 0.53 N ATOM 320 CA LYS A 23 -7.452 -4.977 2.031 1.00 0.55 C ATOM 321 C LYS A 23 -6.855 -6.382 2.042 1.00 0.50 C ATOM 322 O LYS A 23 -7.575 -7.373 1.925 1.00 0.57 O ATOM 323 CB LYS A 23 -7.531 -4.459 0.595 1.00 0.61 C ATOM 324 CG LYS A 23 -8.377 -3.204 0.447 1.00 0.70 C ATOM 325 CD LYS A 23 -7.764 -2.232 -0.549 1.00 0.79 C ATOM 326 CE LYS A 23 -8.821 -1.612 -1.448 1.00 0.96 C ATOM 327 NZ LYS A 23 -9.642 -0.602 -0.725 1.00 1.53 N ATOM 0 H LYS A 23 -6.142 -3.366 2.329 1.00 0.53 H new ATOM 0 HA LYS A 23 -8.457 -5.026 2.451 1.00 0.55 H new ATOM 0 HB2 LYS A 23 -6.523 -4.252 0.236 1.00 0.61 H new ATOM 0 HB3 LYS A 23 -7.942 -5.242 -0.043 1.00 0.61 H new ATOM 0 HG2 LYS A 23 -9.380 -3.477 0.120 1.00 0.70 H new ATOM 0 HG3 LYS A 23 -8.479 -2.717 1.417 1.00 0.70 H new ATOM 0 HD2 LYS A 23 -7.235 -1.445 -0.012 1.00 0.79 H new ATOM 0 HD3 LYS A 23 -7.026 -2.753 -1.159 1.00 0.79 H new ATOM 0 HE2 LYS A 23 -8.338 -1.142 -2.305 1.00 0.96 H new ATOM 0 HE3 LYS A 23 -9.470 -2.395 -1.839 1.00 0.96 H new ATOM 0 HZ1 LYS A 23 -10.049 0.068 -1.408 1.00 1.53 H new ATOM 0 HZ2 LYS A 23 -10.409 -1.081 -0.212 1.00 1.53 H new ATOM 0 HZ3 LYS A 23 -9.042 -0.087 -0.049 1.00 1.53 H new ATOM 341 N ARG A 24 -5.534 -6.463 2.177 1.00 0.46 N ATOM 342 CA ARG A 24 -4.847 -7.750 2.197 1.00 0.50 C ATOM 343 C ARG A 24 -5.091 -8.486 3.512 1.00 0.52 C ATOM 344 O ARG A 24 -5.419 -9.672 3.518 1.00 0.60 O ATOM 345 CB ARG A 24 -3.346 -7.550 1.985 1.00 0.61 C ATOM 346 CG ARG A 24 -2.867 -7.974 0.609 1.00 1.15 C ATOM 347 CD ARG A 24 -1.396 -8.360 0.622 1.00 1.41 C ATOM 348 NE ARG A 24 -1.192 -9.760 0.256 1.00 1.70 N ATOM 349 CZ ARG A 24 -0.148 -10.488 0.648 1.00 2.38 C ATOM 350 NH1 ARG A 24 0.797 -9.954 1.413 1.00 2.89 N ATOM 351 NH2 ARG A 24 -0.047 -11.755 0.270 1.00 2.74 N ATOM 0 H ARG A 24 -4.920 -5.655 2.274 1.00 0.46 H new ATOM 0 HA ARG A 24 -5.249 -8.357 1.386 1.00 0.50 H new ATOM 0 HB2 ARG A 24 -3.103 -6.499 2.138 1.00 0.61 H new ATOM 0 HB3 ARG A 24 -2.802 -8.116 2.741 1.00 0.61 H new ATOM 0 HG2 ARG A 24 -3.462 -8.818 0.260 1.00 1.15 H new ATOM 0 HG3 ARG A 24 -3.024 -7.160 -0.098 1.00 1.15 H new ATOM 0 HD2 ARG A 24 -0.848 -7.721 -0.070 1.00 1.41 H new ATOM 0 HD3 ARG A 24 -0.984 -8.181 1.615 1.00 1.41 H new ATOM 0 HE ARG A 24 -1.892 -10.207 -0.336 1.00 1.70 H new ATOM 0 HH11 ARG A 24 0.727 -8.979 1.705 1.00 2.89 H new ATOM 0 HH12 ARG A 24 1.593 -10.519 1.709 1.00 2.89 H new ATOM 0 HH21 ARG A 24 -0.768 -12.170 -0.320 1.00 2.74 H new ATOM 0 HH22 ARG A 24 0.752 -12.314 0.569 1.00 2.74 H new ATOM 365 N THR A 25 -4.920 -7.778 4.624 1.00 0.53 N ATOM 366 CA THR A 25 -5.113 -8.365 5.944 1.00 0.60 C ATOM 367 C THR A 25 -6.538 -8.872 6.120 1.00 0.59 C ATOM 368 O THR A 25 -6.759 -10.036 6.453 1.00 0.67 O ATOM 369 CB THR A 25 -4.800 -7.340 7.030 1.00 0.66 C ATOM 370 OG1 THR A 25 -3.929 -6.336 6.540 1.00 0.77 O ATOM 371 CG2 THR A 25 -4.161 -7.945 8.261 1.00 0.81 C ATOM 0 H THR A 25 -4.648 -6.795 4.636 1.00 0.53 H new ATOM 0 HA THR A 25 -4.431 -9.210 6.033 1.00 0.60 H new ATOM 0 HB THR A 25 -5.765 -6.919 7.313 1.00 0.66 H new ATOM 0 HG1 THR A 25 -3.743 -5.689 7.252 1.00 0.77 H new ATOM 0 HG21 THR A 25 -3.965 -7.161 8.992 1.00 0.81 H new ATOM 0 HG22 THR A 25 -4.834 -8.685 8.694 1.00 0.81 H new ATOM 0 HG23 THR A 25 -3.223 -8.426 7.985 1.00 0.81 H new ATOM 379 N ARG A 26 -7.505 -7.987 5.895 1.00 0.56 N ATOM 380 CA ARG A 26 -8.914 -8.344 6.031 1.00 0.61 C ATOM 381 C ARG A 26 -9.214 -9.624 5.263 1.00 0.58 C ATOM 382 O ARG A 26 -9.882 -10.529 5.767 1.00 0.65 O ATOM 383 CB ARG A 26 -9.802 -7.206 5.529 1.00 0.64 C ATOM 384 CG ARG A 26 -9.399 -6.675 4.162 1.00 0.59 C ATOM 385 CD ARG A 26 -10.299 -7.216 3.062 1.00 1.02 C ATOM 386 NE ARG A 26 -10.853 -6.146 2.234 1.00 1.36 N ATOM 387 CZ ARG A 26 -11.697 -5.222 2.686 1.00 1.88 C ATOM 388 NH1 ARG A 26 -12.088 -5.232 3.954 1.00 2.38 N ATOM 389 NH2 ARG A 26 -12.152 -4.283 1.866 1.00 2.54 N ATOM 0 H ARG A 26 -7.339 -7.019 5.618 1.00 0.56 H new ATOM 0 HA ARG A 26 -9.127 -8.513 7.086 1.00 0.61 H new ATOM 0 HB2 ARG A 26 -10.834 -7.555 5.484 1.00 0.64 H new ATOM 0 HB3 ARG A 26 -9.773 -6.389 6.250 1.00 0.64 H new ATOM 0 HG2 ARG A 26 -9.444 -5.586 4.167 1.00 0.59 H new ATOM 0 HG3 ARG A 26 -8.365 -6.950 3.955 1.00 0.59 H new ATOM 0 HD2 ARG A 26 -9.732 -7.904 2.435 1.00 1.02 H new ATOM 0 HD3 ARG A 26 -11.113 -7.788 3.508 1.00 1.02 H new ATOM 0 HE ARG A 26 -10.577 -6.105 1.253 1.00 1.36 H new ATOM 0 HH11 ARG A 26 -11.741 -5.951 4.589 1.00 2.38 H new ATOM 0 HH12 ARG A 26 -12.735 -4.521 4.294 1.00 2.38 H new ATOM 0 HH21 ARG A 26 -11.855 -4.270 0.890 1.00 2.54 H new ATOM 0 HH22 ARG A 26 -12.799 -3.574 2.211 1.00 2.54 H new ATOM 403 N LEU A 27 -8.697 -9.699 4.042 1.00 0.51 N ATOM 404 CA LEU A 27 -8.895 -10.874 3.209 1.00 0.51 C ATOM 405 C LEU A 27 -8.262 -12.094 3.867 1.00 0.53 C ATOM 406 O LEU A 27 -8.809 -13.197 3.812 1.00 0.59 O ATOM 407 CB LEU A 27 -8.300 -10.653 1.818 1.00 0.47 C ATOM 408 CG LEU A 27 -9.282 -10.108 0.776 1.00 0.66 C ATOM 409 CD1 LEU A 27 -8.652 -8.971 -0.014 1.00 1.31 C ATOM 410 CD2 LEU A 27 -9.741 -11.219 -0.156 1.00 1.35 C ATOM 0 H LEU A 27 -8.140 -8.962 3.610 1.00 0.51 H new ATOM 0 HA LEU A 27 -9.966 -11.047 3.101 1.00 0.51 H new ATOM 0 HB2 LEU A 27 -7.462 -9.961 1.903 1.00 0.47 H new ATOM 0 HB3 LEU A 27 -7.897 -11.599 1.456 1.00 0.47 H new ATOM 0 HG LEU A 27 -10.154 -9.716 1.299 1.00 0.66 H new ATOM 0 HD11 LEU A 27 -9.366 -8.599 -0.748 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -8.377 -8.165 0.666 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -7.761 -9.334 -0.526 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -10.438 -10.814 -0.890 1.00 1.35 H new ATOM 0 HD22 LEU A 27 -8.878 -11.642 -0.670 1.00 1.35 H new ATOM 0 HD23 LEU A 27 -10.236 -11.998 0.423 1.00 1.35 H new ATOM 422 N VAL A 28 -7.114 -11.889 4.508 1.00 0.54 N ATOM 423 CA VAL A 28 -6.426 -12.977 5.189 1.00 0.62 C ATOM 424 C VAL A 28 -7.293 -13.522 6.312 1.00 0.72 C ATOM 425 O VAL A 28 -7.426 -14.735 6.478 1.00 0.79 O ATOM 426 CB VAL A 28 -5.076 -12.526 5.772 1.00 0.65 C ATOM 427 CG1 VAL A 28 -4.323 -13.709 6.363 1.00 0.77 C ATOM 428 CG2 VAL A 28 -4.239 -11.826 4.708 1.00 0.62 C ATOM 0 H VAL A 28 -6.645 -10.985 4.569 1.00 0.54 H new ATOM 0 HA VAL A 28 -6.238 -13.754 4.448 1.00 0.62 H new ATOM 0 HB VAL A 28 -5.270 -11.814 6.574 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -3.371 -13.368 6.770 1.00 0.77 H new ATOM 0 HG12 VAL A 28 -4.918 -14.158 7.159 1.00 0.77 H new ATOM 0 HG13 VAL A 28 -4.140 -14.450 5.584 1.00 0.77 H new ATOM 0 HG21 VAL A 28 -3.288 -11.515 5.140 1.00 0.62 H new ATOM 0 HG22 VAL A 28 -4.055 -12.512 3.881 1.00 0.62 H new ATOM 0 HG23 VAL A 28 -4.775 -10.951 4.341 1.00 0.62 H new ATOM 438 N GLN A 29 -7.898 -12.613 7.072 1.00 0.76 N ATOM 439 CA GLN A 29 -8.775 -13.000 8.168 1.00 0.87 C ATOM 440 C GLN A 29 -9.823 -13.984 7.665 1.00 0.87 C ATOM 441 O GLN A 29 -10.251 -14.883 8.389 1.00 0.97 O ATOM 442 CB GLN A 29 -9.453 -11.768 8.774 1.00 0.95 C ATOM 443 CG GLN A 29 -8.805 -11.290 10.063 1.00 1.50 C ATOM 444 CD GLN A 29 -7.344 -10.926 9.881 1.00 1.68 C ATOM 445 OE1 GLN A 29 -6.645 -11.507 9.051 1.00 2.23 O ATOM 446 NE2 GLN A 29 -6.874 -9.959 10.661 1.00 2.15 N ATOM 0 H GLN A 29 -7.796 -11.606 6.948 1.00 0.76 H new ATOM 0 HA GLN A 29 -8.178 -13.479 8.944 1.00 0.87 H new ATOM 0 HB2 GLN A 29 -9.434 -10.958 8.045 1.00 0.95 H new ATOM 0 HB3 GLN A 29 -10.501 -11.998 8.967 1.00 0.95 H new ATOM 0 HG2 GLN A 29 -9.348 -10.422 10.438 1.00 1.50 H new ATOM 0 HG3 GLN A 29 -8.890 -12.070 10.819 1.00 1.50 H new ATOM 0 HE21 GLN A 29 -7.489 -9.504 11.336 1.00 2.15 H new ATOM 0 HE22 GLN A 29 -5.898 -9.671 10.585 1.00 2.15 H new ATOM 455 N GLN A 30 -10.215 -13.811 6.406 1.00 0.83 N ATOM 456 CA GLN A 30 -11.195 -14.689 5.785 1.00 0.93 C ATOM 457 C GLN A 30 -10.596 -16.072 5.557 1.00 0.96 C ATOM 458 O GLN A 30 -11.300 -17.081 5.621 1.00 1.09 O ATOM 459 CB GLN A 30 -11.675 -14.100 4.457 1.00 0.98 C ATOM 460 CG GLN A 30 -12.190 -12.674 4.573 1.00 1.46 C ATOM 461 CD GLN A 30 -13.526 -12.478 3.885 1.00 1.70 C ATOM 462 OE1 GLN A 30 -13.593 -11.968 2.766 1.00 2.18 O ATOM 463 NE2 GLN A 30 -14.601 -12.884 4.552 1.00 2.29 N ATOM 0 H GLN A 30 -9.867 -13.070 5.798 1.00 0.83 H new ATOM 0 HA GLN A 30 -12.049 -14.781 6.455 1.00 0.93 H new ATOM 0 HB2 GLN A 30 -10.854 -14.123 3.741 1.00 0.98 H new ATOM 0 HB3 GLN A 30 -12.467 -14.732 4.054 1.00 0.98 H new ATOM 0 HG2 GLN A 30 -12.286 -12.411 5.626 1.00 1.46 H new ATOM 0 HG3 GLN A 30 -11.459 -11.991 4.140 1.00 1.46 H new ATOM 0 HE21 GLN A 30 -14.500 -13.301 5.477 1.00 2.29 H new ATOM 0 HE22 GLN A 30 -15.528 -12.778 4.139 1.00 2.29 H new ATOM 472 N HIS A 31 -9.289 -16.115 5.301 1.00 0.87 N ATOM 473 CA HIS A 31 -8.601 -17.383 5.076 1.00 0.98 C ATOM 474 C HIS A 31 -7.260 -17.416 5.809 1.00 1.03 C ATOM 475 O HIS A 31 -6.200 -17.330 5.190 1.00 1.06 O ATOM 476 CB HIS A 31 -8.391 -17.631 3.580 1.00 0.99 C ATOM 477 CG HIS A 31 -7.482 -16.640 2.925 1.00 1.40 C ATOM 478 ND1 HIS A 31 -7.770 -15.298 2.851 1.00 1.72 N ATOM 479 CD2 HIS A 31 -6.286 -16.801 2.309 1.00 2.18 C ATOM 480 CE1 HIS A 31 -6.795 -14.676 2.215 1.00 2.19 C ATOM 481 NE2 HIS A 31 -5.879 -15.563 1.879 1.00 2.47 N ATOM 0 H HIS A 31 -8.690 -15.292 5.245 1.00 0.87 H new ATOM 0 HA HIS A 31 -9.231 -18.178 5.475 1.00 0.98 H new ATOM 0 HB2 HIS A 31 -7.982 -18.632 3.441 1.00 0.99 H new ATOM 0 HB3 HIS A 31 -9.358 -17.609 3.078 1.00 0.99 H new ATOM 0 HD1 HIS A 31 -8.606 -14.853 3.229 1.00 1.72 H new ATOM 0 HD2 HIS A 31 -5.752 -17.731 2.180 1.00 2.18 H new ATOM 0 HE1 HIS A 31 -6.754 -13.617 2.005 1.00 2.19 H new ATOM 490 N PRO A 32 -7.290 -17.542 7.146 1.00 1.13 N ATOM 491 CA PRO A 32 -6.074 -17.586 7.963 1.00 1.29 C ATOM 492 C PRO A 32 -5.329 -18.910 7.823 1.00 1.57 C ATOM 493 O PRO A 32 -4.102 -18.954 7.900 1.00 2.23 O ATOM 494 CB PRO A 32 -6.600 -17.417 9.388 1.00 1.44 C ATOM 495 CG PRO A 32 -7.985 -17.962 9.343 1.00 1.39 C ATOM 496 CD PRO A 32 -8.511 -17.652 7.968 1.00 1.19 C ATOM 0 HA PRO A 32 -5.355 -16.823 7.666 1.00 1.29 H new ATOM 0 HB2 PRO A 32 -5.984 -17.959 10.105 1.00 1.44 H new ATOM 0 HB3 PRO A 32 -6.595 -16.370 9.691 1.00 1.44 H new ATOM 0 HG2 PRO A 32 -7.987 -19.036 9.528 1.00 1.39 H new ATOM 0 HG3 PRO A 32 -8.609 -17.505 10.111 1.00 1.39 H new ATOM 0 HD2 PRO A 32 -9.170 -18.440 7.604 1.00 1.19 H new ATOM 0 HD3 PRO A 32 -9.086 -16.726 7.958 1.00 1.19 H new ATOM 504 N ARG A 33 -6.081 -19.984 7.616 1.00 1.74 N ATOM 505 CA ARG A 33 -5.495 -21.311 7.463 1.00 2.03 C ATOM 506 C ARG A 33 -6.573 -22.353 7.178 1.00 3.00 C ATOM 507 O ARG A 33 -7.631 -22.352 7.806 1.00 3.75 O ATOM 508 CB ARG A 33 -4.718 -21.697 8.723 1.00 1.88 C ATOM 509 CG ARG A 33 -5.563 -21.685 9.988 1.00 2.44 C ATOM 510 CD ARG A 33 -5.371 -20.399 10.778 1.00 3.16 C ATOM 511 NE ARG A 33 -5.032 -20.659 12.174 1.00 3.92 N ATOM 512 CZ ARG A 33 -3.816 -21.009 12.590 1.00 4.70 C ATOM 513 NH1 ARG A 33 -2.823 -21.140 11.720 1.00 4.92 N ATOM 514 NH2 ARG A 33 -3.593 -21.227 13.879 1.00 5.58 N ATOM 0 H ARG A 33 -7.099 -19.963 7.550 1.00 1.74 H new ATOM 0 HA ARG A 33 -4.810 -21.282 6.616 1.00 2.03 H new ATOM 0 HB2 ARG A 33 -4.295 -22.693 8.588 1.00 1.88 H new ATOM 0 HB3 ARG A 33 -3.881 -21.010 8.849 1.00 1.88 H new ATOM 0 HG2 ARG A 33 -6.615 -21.797 9.725 1.00 2.44 H new ATOM 0 HG3 ARG A 33 -5.298 -22.539 10.612 1.00 2.44 H new ATOM 0 HD2 ARG A 33 -4.581 -19.806 10.318 1.00 3.16 H new ATOM 0 HD3 ARG A 33 -6.284 -19.805 10.731 1.00 3.16 H new ATOM 0 HE ARG A 33 -5.770 -20.567 12.872 1.00 3.92 H new ATOM 0 HH11 ARG A 33 -2.989 -20.972 10.728 1.00 4.92 H new ATOM 0 HH12 ARG A 33 -1.894 -21.408 12.043 1.00 4.92 H new ATOM 0 HH21 ARG A 33 -4.353 -21.127 14.552 1.00 5.58 H new ATOM 0 HH22 ARG A 33 -2.662 -21.495 14.197 1.00 5.58 H new TER 528 ARG A 33 ATOM 529 N CYS B 1 -15.614 -25.278 0.389 1.00 5.15 N ATOM 530 CA CYS B 1 -15.979 -24.074 -0.349 1.00 4.44 C ATOM 531 C CYS B 1 -15.104 -22.896 0.067 1.00 3.68 C ATOM 532 O CYS B 1 -15.213 -22.392 1.185 1.00 4.02 O ATOM 533 CB CYS B 1 -17.453 -23.736 -0.118 1.00 4.47 C ATOM 534 SG CYS B 1 -18.292 -23.063 -1.570 1.00 5.51 S ATOM 0 H1 CYS B 1 -16.222 -26.067 0.090 1.00 5.15 H new ATOM 0 H2 CYS B 1 -14.620 -25.515 0.196 1.00 5.15 H new ATOM 0 H3 CYS B 1 -15.739 -25.112 1.408 1.00 5.15 H new ATOM 0 HA CYS B 1 -15.820 -24.266 -1.410 1.00 4.44 H new ATOM 0 HB2 CYS B 1 -17.975 -24.637 0.205 1.00 4.47 H new ATOM 0 HB3 CYS B 1 -17.526 -23.016 0.697 1.00 4.47 H new ATOM 0 HG CYS B 1 -19.533 -22.811 -1.276 1.00 5.51 H new ATOM 540 N GLY B 2 -14.234 -22.462 -0.840 1.00 3.11 N ATOM 541 CA GLY B 2 -13.353 -21.348 -0.549 1.00 2.73 C ATOM 542 C GLY B 2 -11.967 -21.536 -1.132 1.00 2.20 C ATOM 543 O GLY B 2 -11.579 -20.836 -2.067 1.00 2.81 O ATOM 0 H GLY B 2 -14.124 -22.863 -1.771 1.00 3.11 H new ATOM 0 HA2 GLY B 2 -13.789 -20.431 -0.946 1.00 2.73 H new ATOM 0 HA3 GLY B 2 -13.275 -21.223 0.531 1.00 2.73 H new ATOM 547 N GLY B 3 -11.218 -22.484 -0.577 1.00 1.66 N ATOM 548 CA GLY B 3 -9.875 -22.746 -1.062 1.00 1.45 C ATOM 549 C GLY B 3 -8.962 -21.545 -0.917 1.00 1.30 C ATOM 550 O GLY B 3 -9.179 -20.691 -0.057 1.00 1.48 O ATOM 0 H GLY B 3 -11.517 -23.075 0.199 1.00 1.66 H new ATOM 0 HA2 GLY B 3 -9.452 -23.588 -0.514 1.00 1.45 H new ATOM 0 HA3 GLY B 3 -9.921 -23.039 -2.111 1.00 1.45 H new ATOM 554 N ASP B 4 -7.937 -21.478 -1.760 1.00 1.06 N ATOM 555 CA ASP B 4 -6.986 -20.372 -1.723 1.00 1.10 C ATOM 556 C ASP B 4 -7.383 -19.265 -2.693 1.00 1.01 C ATOM 557 O ASP B 4 -6.587 -18.373 -2.988 1.00 1.22 O ATOM 558 CB ASP B 4 -5.586 -20.869 -2.066 1.00 1.23 C ATOM 559 CG ASP B 4 -5.096 -21.935 -1.106 1.00 1.84 C ATOM 560 OD1 ASP B 4 -4.489 -21.575 -0.077 1.00 2.59 O ATOM 561 OD2 ASP B 4 -5.320 -23.132 -1.385 1.00 2.34 O ATOM 0 H ASP B 4 -7.743 -22.177 -2.478 1.00 1.06 H new ATOM 0 HA ASP B 4 -6.993 -19.964 -0.712 1.00 1.10 H new ATOM 0 HB2 ASP B 4 -5.585 -21.269 -3.080 1.00 1.23 H new ATOM 0 HB3 ASP B 4 -4.893 -20.028 -2.054 1.00 1.23 H new ATOM 566 N ASN B 5 -8.617 -19.320 -3.182 1.00 0.92 N ATOM 567 CA ASN B 5 -9.116 -18.312 -4.112 1.00 1.02 C ATOM 568 C ASN B 5 -8.905 -16.921 -3.533 1.00 0.99 C ATOM 569 O ASN B 5 -8.715 -15.948 -4.264 1.00 1.39 O ATOM 570 CB ASN B 5 -10.600 -18.541 -4.404 1.00 1.19 C ATOM 571 CG ASN B 5 -11.009 -18.017 -5.766 1.00 1.61 C ATOM 572 OD1 ASN B 5 -11.954 -17.236 -5.887 1.00 2.22 O ATOM 573 ND2 ASN B 5 -10.297 -18.443 -6.803 1.00 1.86 N ATOM 0 H ASN B 5 -9.290 -20.051 -2.951 1.00 0.92 H new ATOM 0 HA ASN B 5 -8.562 -18.396 -5.047 1.00 1.02 H new ATOM 0 HB2 ASN B 5 -10.818 -19.607 -4.348 1.00 1.19 H new ATOM 0 HB3 ASN B 5 -11.198 -18.052 -3.635 1.00 1.19 H new ATOM 0 HD21 ASN B 5 -10.525 -18.123 -7.744 1.00 1.86 H new ATOM 0 HD22 ASN B 5 -9.522 -19.090 -6.658 1.00 1.86 H new ATOM 580 N ILE B 6 -8.926 -16.846 -2.209 1.00 0.68 N ATOM 581 CA ILE B 6 -8.722 -15.593 -1.506 1.00 0.63 C ATOM 582 C ILE B 6 -7.240 -15.245 -1.467 1.00 0.56 C ATOM 583 O ILE B 6 -6.847 -14.108 -1.725 1.00 0.53 O ATOM 584 CB ILE B 6 -9.257 -15.676 -0.065 1.00 0.67 C ATOM 585 CG1 ILE B 6 -10.660 -16.289 -0.048 1.00 0.87 C ATOM 586 CG2 ILE B 6 -9.265 -14.299 0.573 1.00 0.85 C ATOM 587 CD1 ILE B 6 -10.692 -17.710 0.472 1.00 1.57 C ATOM 0 H ILE B 6 -9.084 -17.648 -1.598 1.00 0.68 H new ATOM 0 HA ILE B 6 -9.268 -14.818 -2.043 1.00 0.63 H new ATOM 0 HB ILE B 6 -8.597 -16.321 0.515 1.00 0.67 H new ATOM 0 HG12 ILE B 6 -11.311 -15.670 0.569 1.00 0.87 H new ATOM 0 HG13 ILE B 6 -11.068 -16.271 -1.059 1.00 0.87 H new ATOM 0 HG21 ILE B 6 -9.646 -14.372 1.592 1.00 0.85 H new ATOM 0 HG22 ILE B 6 -8.250 -13.901 0.592 1.00 0.85 H new ATOM 0 HG23 ILE B 6 -9.905 -13.633 -0.006 1.00 0.85 H new ATOM 0 HD11 ILE B 6 -11.717 -18.080 0.456 1.00 1.57 H new ATOM 0 HD12 ILE B 6 -10.068 -18.343 -0.159 1.00 1.57 H new ATOM 0 HD13 ILE B 6 -10.314 -17.732 1.494 1.00 1.57 H new ATOM 599 N GLU B 7 -6.424 -16.245 -1.148 1.00 0.60 N ATOM 600 CA GLU B 7 -4.978 -16.069 -1.080 1.00 0.59 C ATOM 601 C GLU B 7 -4.438 -15.524 -2.397 1.00 0.57 C ATOM 602 O GLU B 7 -3.425 -14.825 -2.424 1.00 0.53 O ATOM 603 CB GLU B 7 -4.297 -17.398 -0.746 1.00 0.75 C ATOM 604 CG GLU B 7 -3.098 -17.253 0.178 1.00 0.78 C ATOM 605 CD GLU B 7 -2.023 -18.286 -0.095 1.00 1.29 C ATOM 606 OE1 GLU B 7 -2.256 -19.477 0.196 1.00 1.93 O ATOM 607 OE2 GLU B 7 -0.947 -17.902 -0.601 1.00 1.94 O ATOM 0 H GLU B 7 -6.742 -17.190 -0.932 1.00 0.60 H new ATOM 0 HA GLU B 7 -4.759 -15.349 -0.291 1.00 0.59 H new ATOM 0 HB2 GLU B 7 -5.025 -18.063 -0.281 1.00 0.75 H new ATOM 0 HB3 GLU B 7 -3.976 -17.875 -1.672 1.00 0.75 H new ATOM 0 HG2 GLU B 7 -2.675 -16.255 0.064 1.00 0.78 H new ATOM 0 HG3 GLU B 7 -3.429 -17.343 1.213 1.00 0.78 H new ATOM 614 N GLN B 8 -5.127 -15.843 -3.486 1.00 0.64 N ATOM 615 CA GLN B 8 -4.724 -15.378 -4.806 1.00 0.69 C ATOM 616 C GLN B 8 -5.140 -13.926 -5.005 1.00 0.63 C ATOM 617 O GLN B 8 -4.387 -13.118 -5.551 1.00 0.67 O ATOM 618 CB GLN B 8 -5.352 -16.256 -5.890 1.00 0.82 C ATOM 619 CG GLN B 8 -4.827 -15.967 -7.287 1.00 1.18 C ATOM 620 CD GLN B 8 -3.799 -16.981 -7.746 1.00 1.54 C ATOM 621 OE1 GLN B 8 -4.129 -17.955 -8.423 1.00 2.16 O ATOM 622 NE2 GLN B 8 -2.543 -16.757 -7.379 1.00 2.22 N ATOM 0 H GLN B 8 -5.967 -16.422 -3.480 1.00 0.64 H new ATOM 0 HA GLN B 8 -3.639 -15.446 -4.882 1.00 0.69 H new ATOM 0 HB2 GLN B 8 -5.166 -17.303 -5.651 1.00 0.82 H new ATOM 0 HB3 GLN B 8 -6.433 -16.114 -5.880 1.00 0.82 H new ATOM 0 HG2 GLN B 8 -5.661 -15.957 -7.989 1.00 1.18 H new ATOM 0 HG3 GLN B 8 -4.383 -14.972 -7.305 1.00 1.18 H new ATOM 0 HE21 GLN B 8 -2.314 -15.937 -6.818 1.00 2.22 H new ATOM 0 HE22 GLN B 8 -1.807 -17.405 -7.658 1.00 2.22 H new ATOM 631 N LYS B 9 -6.344 -13.602 -4.546 1.00 0.57 N ATOM 632 CA LYS B 9 -6.867 -12.248 -4.660 1.00 0.58 C ATOM 633 C LYS B 9 -5.996 -11.266 -3.886 1.00 0.50 C ATOM 634 O LYS B 9 -5.757 -10.145 -4.335 1.00 0.59 O ATOM 635 CB LYS B 9 -8.307 -12.189 -4.145 1.00 0.64 C ATOM 636 CG LYS B 9 -9.084 -10.982 -4.645 1.00 1.01 C ATOM 637 CD LYS B 9 -9.142 -9.881 -3.596 1.00 1.26 C ATOM 638 CE LYS B 9 -10.515 -9.231 -3.546 1.00 1.86 C ATOM 639 NZ LYS B 9 -10.546 -7.941 -4.289 1.00 2.37 N ATOM 0 H LYS B 9 -6.976 -14.261 -4.091 1.00 0.57 H new ATOM 0 HA LYS B 9 -6.855 -11.966 -5.713 1.00 0.58 H new ATOM 0 HB2 LYS B 9 -8.829 -13.097 -4.447 1.00 0.64 H new ATOM 0 HB3 LYS B 9 -8.294 -12.176 -3.055 1.00 0.64 H new ATOM 0 HG2 LYS B 9 -8.617 -10.598 -5.552 1.00 1.01 H new ATOM 0 HG3 LYS B 9 -10.096 -11.285 -4.912 1.00 1.01 H new ATOM 0 HD2 LYS B 9 -8.899 -10.296 -2.618 1.00 1.26 H new ATOM 0 HD3 LYS B 9 -8.388 -9.125 -3.818 1.00 1.26 H new ATOM 0 HE2 LYS B 9 -11.254 -9.911 -3.969 1.00 1.86 H new ATOM 0 HE3 LYS B 9 -10.797 -9.059 -2.507 1.00 1.86 H new ATOM 0 HZ1 LYS B 9 -11.499 -7.530 -4.231 1.00 2.37 H new ATOM 0 HZ2 LYS B 9 -9.859 -7.282 -3.870 1.00 2.37 H new ATOM 0 HZ3 LYS B 9 -10.301 -8.109 -5.286 1.00 2.37 H new ATOM 653 N ILE B 10 -5.516 -11.697 -2.724 1.00 0.41 N ATOM 654 CA ILE B 10 -4.666 -10.849 -1.897 1.00 0.38 C ATOM 655 C ILE B 10 -3.306 -10.644 -2.546 1.00 0.36 C ATOM 656 O ILE B 10 -2.783 -9.531 -2.563 1.00 0.37 O ATOM 657 CB ILE B 10 -4.458 -11.425 -0.487 1.00 0.42 C ATOM 658 CG1 ILE B 10 -4.038 -12.895 -0.545 1.00 0.41 C ATOM 659 CG2 ILE B 10 -5.720 -11.262 0.347 1.00 0.54 C ATOM 660 CD1 ILE B 10 -3.600 -13.446 0.794 1.00 1.11 C ATOM 0 H ILE B 10 -5.700 -12.622 -2.336 1.00 0.41 H new ATOM 0 HA ILE B 10 -5.185 -9.895 -1.808 1.00 0.38 H new ATOM 0 HB ILE B 10 -3.652 -10.866 -0.012 1.00 0.42 H new ATOM 0 HG12 ILE B 10 -4.872 -13.489 -0.919 1.00 0.41 H new ATOM 0 HG13 ILE B 10 -3.222 -13.005 -1.260 1.00 0.41 H new ATOM 0 HG21 ILE B 10 -5.555 -11.675 1.342 1.00 0.54 H new ATOM 0 HG22 ILE B 10 -5.967 -10.204 0.430 1.00 0.54 H new ATOM 0 HG23 ILE B 10 -6.544 -11.790 -0.133 1.00 0.54 H new ATOM 0 HD11 ILE B 10 -3.316 -14.492 0.682 1.00 1.11 H new ATOM 0 HD12 ILE B 10 -2.747 -12.876 1.161 1.00 1.11 H new ATOM 0 HD13 ILE B 10 -4.422 -13.368 1.506 1.00 1.11 H new ATOM 672 N ASP B 11 -2.737 -11.718 -3.089 1.00 0.39 N ATOM 673 CA ASP B 11 -1.438 -11.637 -3.747 1.00 0.47 C ATOM 674 C ASP B 11 -1.437 -10.490 -4.747 1.00 0.48 C ATOM 675 O ASP B 11 -0.430 -9.802 -4.935 1.00 0.52 O ATOM 676 CB ASP B 11 -1.113 -12.954 -4.457 1.00 0.58 C ATOM 677 CG ASP B 11 0.380 -13.192 -4.578 1.00 0.84 C ATOM 678 OD1 ASP B 11 1.077 -12.318 -5.135 1.00 1.51 O ATOM 679 OD2 ASP B 11 0.851 -14.252 -4.115 1.00 1.45 O ATOM 0 H ASP B 11 -3.153 -12.649 -3.086 1.00 0.39 H new ATOM 0 HA ASP B 11 -0.674 -11.454 -2.992 1.00 0.47 H new ATOM 0 HB2 ASP B 11 -1.567 -13.780 -3.910 1.00 0.58 H new ATOM 0 HB3 ASP B 11 -1.559 -12.947 -5.452 1.00 0.58 H new ATOM 684 N ASP B 12 -2.593 -10.272 -5.363 1.00 0.48 N ATOM 685 CA ASP B 12 -2.748 -9.192 -6.323 1.00 0.53 C ATOM 686 C ASP B 12 -2.623 -7.861 -5.601 1.00 0.49 C ATOM 687 O ASP B 12 -1.906 -6.960 -6.038 1.00 0.54 O ATOM 688 CB ASP B 12 -4.103 -9.288 -7.028 1.00 0.60 C ATOM 689 CG ASP B 12 -4.087 -8.642 -8.400 1.00 0.75 C ATOM 690 OD1 ASP B 12 -3.921 -7.407 -8.472 1.00 1.44 O ATOM 691 OD2 ASP B 12 -4.242 -9.372 -9.401 1.00 1.32 O ATOM 0 H ASP B 12 -3.434 -10.829 -5.213 1.00 0.48 H new ATOM 0 HA ASP B 12 -1.967 -9.271 -7.080 1.00 0.53 H new ATOM 0 HB2 ASP B 12 -4.385 -10.336 -7.126 1.00 0.60 H new ATOM 0 HB3 ASP B 12 -4.865 -8.809 -6.413 1.00 0.60 H new ATOM 696 N ILE B 13 -3.314 -7.760 -4.473 1.00 0.43 N ATOM 697 CA ILE B 13 -3.271 -6.557 -3.662 1.00 0.44 C ATOM 698 C ILE B 13 -1.847 -6.288 -3.200 1.00 0.42 C ATOM 699 O ILE B 13 -1.361 -5.167 -3.289 1.00 0.45 O ATOM 700 CB ILE B 13 -4.192 -6.675 -2.431 1.00 0.43 C ATOM 701 CG1 ILE B 13 -5.600 -7.088 -2.861 1.00 0.46 C ATOM 702 CG2 ILE B 13 -4.228 -5.359 -1.664 1.00 0.55 C ATOM 703 CD1 ILE B 13 -6.587 -7.164 -1.717 1.00 0.50 C ATOM 0 H ILE B 13 -3.911 -8.499 -4.101 1.00 0.43 H new ATOM 0 HA ILE B 13 -3.622 -5.730 -4.279 1.00 0.44 H new ATOM 0 HB ILE B 13 -3.793 -7.444 -1.770 1.00 0.43 H new ATOM 0 HG12 ILE B 13 -5.968 -6.376 -3.600 1.00 0.46 H new ATOM 0 HG13 ILE B 13 -5.550 -8.060 -3.352 1.00 0.46 H new ATOM 0 HG21 ILE B 13 -4.883 -5.460 -0.798 1.00 0.55 H new ATOM 0 HG22 ILE B 13 -3.222 -5.105 -1.330 1.00 0.55 H new ATOM 0 HG23 ILE B 13 -4.605 -4.569 -2.314 1.00 0.55 H new ATOM 0 HD11 ILE B 13 -7.564 -7.463 -2.098 1.00 0.50 H new ATOM 0 HD12 ILE B 13 -6.243 -7.897 -0.987 1.00 0.50 H new ATOM 0 HD13 ILE B 13 -6.667 -6.187 -1.240 1.00 0.50 H new ATOM 715 N ASP B 14 -1.175 -7.333 -2.719 1.00 0.40 N ATOM 716 CA ASP B 14 0.204 -7.213 -2.253 1.00 0.43 C ATOM 717 C ASP B 14 1.063 -6.482 -3.280 1.00 0.46 C ATOM 718 O ASP B 14 1.993 -5.758 -2.924 1.00 0.48 O ATOM 719 CB ASP B 14 0.793 -8.596 -1.972 1.00 0.44 C ATOM 720 CG ASP B 14 1.816 -8.571 -0.853 1.00 0.51 C ATOM 721 OD1 ASP B 14 1.605 -7.829 0.129 1.00 1.32 O ATOM 722 OD2 ASP B 14 2.829 -9.295 -0.960 1.00 1.13 O ATOM 0 H ASP B 14 -1.564 -8.273 -2.642 1.00 0.40 H new ATOM 0 HA ASP B 14 0.199 -6.634 -1.330 1.00 0.43 H new ATOM 0 HB2 ASP B 14 -0.011 -9.284 -1.711 1.00 0.44 H new ATOM 0 HB3 ASP B 14 1.260 -8.981 -2.879 1.00 0.44 H new ATOM 727 N HIS B 15 0.737 -6.671 -4.553 1.00 0.47 N ATOM 728 CA HIS B 15 1.472 -6.022 -5.629 1.00 0.52 C ATOM 729 C HIS B 15 1.093 -4.550 -5.717 1.00 0.53 C ATOM 730 O HIS B 15 1.889 -3.715 -6.146 1.00 0.56 O ATOM 731 CB HIS B 15 1.183 -6.714 -6.961 1.00 0.56 C ATOM 732 CG HIS B 15 2.195 -6.414 -8.023 1.00 0.76 C ATOM 733 ND1 HIS B 15 3.345 -5.692 -7.786 1.00 0.92 N ATOM 734 CD2 HIS B 15 2.224 -6.743 -9.337 1.00 1.01 C ATOM 735 CE1 HIS B 15 4.038 -5.589 -8.906 1.00 1.12 C ATOM 736 NE2 HIS B 15 3.380 -6.220 -9.861 1.00 1.19 N ATOM 0 H HIS B 15 -0.030 -7.267 -4.864 1.00 0.47 H new ATOM 0 HA HIS B 15 2.538 -6.099 -5.414 1.00 0.52 H new ATOM 0 HB2 HIS B 15 1.145 -7.791 -6.801 1.00 0.56 H new ATOM 0 HB3 HIS B 15 0.197 -6.409 -7.313 1.00 0.56 H new ATOM 0 HD2 HIS B 15 1.477 -7.311 -9.872 1.00 1.01 H new ATOM 0 HE1 HIS B 15 4.982 -5.076 -9.021 1.00 1.12 H new ATOM 0 HE2 HIS B 15 3.682 -6.305 -10.832 1.00 1.19 H new ATOM 745 N GLU B 16 -0.133 -4.241 -5.307 1.00 0.52 N ATOM 746 CA GLU B 16 -0.624 -2.871 -5.339 1.00 0.56 C ATOM 747 C GLU B 16 -0.217 -2.115 -4.078 1.00 0.57 C ATOM 748 O GLU B 16 0.056 -0.917 -4.125 1.00 0.64 O ATOM 749 CB GLU B 16 -2.146 -2.856 -5.488 1.00 0.58 C ATOM 750 CG GLU B 16 -2.669 -3.869 -6.494 1.00 0.59 C ATOM 751 CD GLU B 16 -4.161 -4.104 -6.364 1.00 1.29 C ATOM 752 OE1 GLU B 16 -4.913 -3.110 -6.278 1.00 1.99 O ATOM 753 OE2 GLU B 16 -4.577 -5.281 -6.351 1.00 2.03 O ATOM 0 H GLU B 16 -0.803 -4.922 -4.949 1.00 0.52 H new ATOM 0 HA GLU B 16 -0.176 -2.372 -6.199 1.00 0.56 H new ATOM 0 HB2 GLU B 16 -2.600 -3.053 -4.517 1.00 0.58 H new ATOM 0 HB3 GLU B 16 -2.463 -1.858 -5.791 1.00 0.58 H new ATOM 0 HG2 GLU B 16 -2.446 -3.522 -7.503 1.00 0.59 H new ATOM 0 HG3 GLU B 16 -2.143 -4.814 -6.359 1.00 0.59 H new ATOM 760 N ILE B 17 -0.175 -2.825 -2.957 1.00 0.53 N ATOM 761 CA ILE B 17 0.200 -2.229 -1.682 1.00 0.57 C ATOM 762 C ILE B 17 1.645 -1.745 -1.719 1.00 0.57 C ATOM 763 O ILE B 17 1.996 -0.746 -1.090 1.00 0.61 O ATOM 764 CB ILE B 17 0.039 -3.233 -0.523 1.00 0.58 C ATOM 765 CG1 ILE B 17 -1.340 -3.892 -0.576 1.00 0.58 C ATOM 766 CG2 ILE B 17 0.245 -2.539 0.815 1.00 0.66 C ATOM 767 CD1 ILE B 17 -1.369 -5.280 0.023 1.00 1.06 C ATOM 0 H ILE B 17 -0.397 -3.819 -2.906 1.00 0.53 H new ATOM 0 HA ILE B 17 -0.467 -1.384 -1.514 1.00 0.57 H new ATOM 0 HB ILE B 17 0.798 -4.008 -0.630 1.00 0.58 H new ATOM 0 HG12 ILE B 17 -2.055 -3.262 -0.048 1.00 0.58 H new ATOM 0 HG13 ILE B 17 -1.668 -3.946 -1.614 1.00 0.58 H new ATOM 0 HG21 ILE B 17 0.128 -3.262 1.622 1.00 0.66 H new ATOM 0 HG22 ILE B 17 1.247 -2.112 0.853 1.00 0.66 H new ATOM 0 HG23 ILE B 17 -0.492 -1.744 0.930 1.00 0.66 H new ATOM 0 HD11 ILE B 17 -2.378 -5.686 -0.049 1.00 1.06 H new ATOM 0 HD12 ILE B 17 -0.678 -5.925 -0.520 1.00 1.06 H new ATOM 0 HD13 ILE B 17 -1.072 -5.231 1.070 1.00 1.06 H new ATOM 779 N ALA B 18 2.477 -2.467 -2.462 1.00 0.53 N ATOM 780 CA ALA B 18 3.888 -2.124 -2.590 1.00 0.55 C ATOM 781 C ALA B 18 4.091 -1.009 -3.610 1.00 0.55 C ATOM 782 O ALA B 18 4.948 -0.144 -3.433 1.00 0.57 O ATOM 783 CB ALA B 18 4.692 -3.355 -2.981 1.00 0.58 C ATOM 0 H ALA B 18 2.197 -3.296 -2.986 1.00 0.53 H new ATOM 0 HA ALA B 18 4.241 -1.763 -1.624 1.00 0.55 H new ATOM 0 HB1 ALA B 18 5.745 -3.088 -3.074 1.00 0.58 H new ATOM 0 HB2 ALA B 18 4.579 -4.122 -2.215 1.00 0.58 H new ATOM 0 HB3 ALA B 18 4.329 -3.739 -3.935 1.00 0.58 H new ATOM 789 N ASP B 19 3.296 -1.035 -4.676 1.00 0.55 N ATOM 790 CA ASP B 19 3.390 -0.023 -5.724 1.00 0.57 C ATOM 791 C ASP B 19 3.266 1.379 -5.136 1.00 0.55 C ATOM 792 O ASP B 19 4.025 2.282 -5.491 1.00 0.57 O ATOM 793 CB ASP B 19 2.303 -0.245 -6.776 1.00 0.61 C ATOM 794 CG ASP B 19 2.767 -1.139 -7.909 1.00 0.93 C ATOM 795 OD1 ASP B 19 3.749 -0.773 -8.589 1.00 1.57 O ATOM 796 OD2 ASP B 19 2.151 -2.205 -8.115 1.00 1.58 O ATOM 0 H ASP B 19 2.581 -1.744 -4.837 1.00 0.55 H new ATOM 0 HA ASP B 19 4.367 -0.115 -6.198 1.00 0.57 H new ATOM 0 HB2 ASP B 19 1.428 -0.689 -6.302 1.00 0.61 H new ATOM 0 HB3 ASP B 19 1.992 0.718 -7.181 1.00 0.61 H new ATOM 801 N LEU B 20 2.309 1.553 -4.231 1.00 0.52 N ATOM 802 CA LEU B 20 2.090 2.843 -3.591 1.00 0.52 C ATOM 803 C LEU B 20 3.246 3.190 -2.660 1.00 0.50 C ATOM 804 O LEU B 20 3.809 4.282 -2.733 1.00 0.50 O ATOM 805 CB LEU B 20 0.774 2.837 -2.810 1.00 0.57 C ATOM 806 CG LEU B 20 -0.410 2.182 -3.526 1.00 0.58 C ATOM 807 CD1 LEU B 20 -1.715 2.570 -2.850 1.00 0.63 C ATOM 808 CD2 LEU B 20 -0.437 2.567 -4.999 1.00 0.62 C ATOM 0 H LEU B 20 1.673 0.817 -3.925 1.00 0.52 H new ATOM 0 HA LEU B 20 2.034 3.601 -4.372 1.00 0.52 H new ATOM 0 HB2 LEU B 20 0.935 2.321 -1.863 1.00 0.57 H new ATOM 0 HB3 LEU B 20 0.508 3.867 -2.571 1.00 0.57 H new ATOM 0 HG LEU B 20 -0.291 1.100 -3.463 1.00 0.58 H new ATOM 0 HD11 LEU B 20 -2.548 2.097 -3.370 1.00 0.63 H new ATOM 0 HD12 LEU B 20 -1.700 2.238 -1.812 1.00 0.63 H new ATOM 0 HD13 LEU B 20 -1.834 3.653 -2.883 1.00 0.63 H new ATOM 0 HD21 LEU B 20 -1.288 2.089 -5.485 1.00 0.62 H new ATOM 0 HD22 LEU B 20 -0.528 3.649 -5.091 1.00 0.62 H new ATOM 0 HD23 LEU B 20 0.486 2.239 -5.478 1.00 0.62 H new ATOM 820 N GLN B 21 3.595 2.252 -1.783 1.00 0.51 N ATOM 821 CA GLN B 21 4.685 2.458 -0.834 1.00 0.52 C ATOM 822 C GLN B 21 5.956 2.908 -1.549 1.00 0.51 C ATOM 823 O GLN B 21 6.754 3.668 -1.000 1.00 0.51 O ATOM 824 CB GLN B 21 4.955 1.174 -0.049 1.00 0.56 C ATOM 825 CG GLN B 21 5.323 1.416 1.406 1.00 0.88 C ATOM 826 CD GLN B 21 4.844 0.306 2.321 1.00 1.31 C ATOM 827 OE1 GLN B 21 5.166 -0.865 2.117 1.00 1.98 O ATOM 828 NE2 GLN B 21 4.070 0.669 3.337 1.00 1.93 N ATOM 0 H GLN B 21 3.139 1.343 -1.710 1.00 0.51 H new ATOM 0 HA GLN B 21 4.384 3.244 -0.141 1.00 0.52 H new ATOM 0 HB2 GLN B 21 4.069 0.540 -0.090 1.00 0.56 H new ATOM 0 HB3 GLN B 21 5.763 0.625 -0.533 1.00 0.56 H new ATOM 0 HG2 GLN B 21 6.405 1.511 1.492 1.00 0.88 H new ATOM 0 HG3 GLN B 21 4.893 2.363 1.733 1.00 0.88 H new ATOM 0 HE21 GLN B 21 3.828 1.651 3.468 1.00 1.93 H new ATOM 0 HE22 GLN B 21 3.717 -0.034 3.986 1.00 1.93 H new ATOM 837 N ALA B 22 6.134 2.437 -2.779 1.00 0.52 N ATOM 838 CA ALA B 22 7.304 2.794 -3.570 1.00 0.55 C ATOM 839 C ALA B 22 7.195 4.224 -4.086 1.00 0.54 C ATOM 840 O ALA B 22 8.202 4.912 -4.257 1.00 0.62 O ATOM 841 CB ALA B 22 7.475 1.823 -4.728 1.00 0.60 C ATOM 0 H ALA B 22 5.483 1.808 -3.248 1.00 0.52 H new ATOM 0 HA ALA B 22 8.183 2.731 -2.928 1.00 0.55 H new ATOM 0 HB1 ALA B 22 8.353 2.102 -5.310 1.00 0.60 H new ATOM 0 HB2 ALA B 22 7.603 0.813 -4.340 1.00 0.60 H new ATOM 0 HB3 ALA B 22 6.591 1.857 -5.365 1.00 0.60 H new ATOM 847 N LYS B 23 5.966 4.665 -4.332 1.00 0.54 N ATOM 848 CA LYS B 23 5.722 6.015 -4.827 1.00 0.55 C ATOM 849 C LYS B 23 6.016 7.054 -3.750 1.00 0.49 C ATOM 850 O LYS B 23 6.438 8.170 -4.051 1.00 0.55 O ATOM 851 CB LYS B 23 4.275 6.151 -5.302 1.00 0.59 C ATOM 852 CG LYS B 23 4.022 5.533 -6.667 1.00 0.69 C ATOM 853 CD LYS B 23 2.547 5.229 -6.875 1.00 0.76 C ATOM 854 CE LYS B 23 2.308 4.502 -8.189 1.00 0.96 C ATOM 855 NZ LYS B 23 1.815 5.422 -9.251 1.00 1.43 N ATOM 0 H LYS B 23 5.123 4.107 -4.197 1.00 0.54 H new ATOM 0 HA LYS B 23 6.393 6.193 -5.668 1.00 0.55 H new ATOM 0 HB2 LYS B 23 3.616 5.681 -4.572 1.00 0.59 H new ATOM 0 HB3 LYS B 23 4.010 7.208 -5.336 1.00 0.59 H new ATOM 0 HG2 LYS B 23 4.368 6.213 -7.445 1.00 0.69 H new ATOM 0 HG3 LYS B 23 4.601 4.615 -6.765 1.00 0.69 H new ATOM 0 HD2 LYS B 23 2.180 4.620 -6.049 1.00 0.76 H new ATOM 0 HD3 LYS B 23 1.978 6.158 -6.863 1.00 0.76 H new ATOM 0 HE2 LYS B 23 3.235 4.032 -8.518 1.00 0.96 H new ATOM 0 HE3 LYS B 23 1.583 3.703 -8.035 1.00 0.96 H new ATOM 0 HZ1 LYS B 23 1.664 4.888 -10.131 1.00 1.43 H new ATOM 0 HZ2 LYS B 23 0.917 5.852 -8.949 1.00 1.43 H new ATOM 0 HZ3 LYS B 23 2.518 6.170 -9.416 1.00 1.43 H new ATOM 869 N ARG B 24 5.790 6.683 -2.494 1.00 0.45 N ATOM 870 CA ARG B 24 6.031 7.588 -1.376 1.00 0.47 C ATOM 871 C ARG B 24 7.527 7.781 -1.141 1.00 0.52 C ATOM 872 O ARG B 24 7.996 8.902 -0.948 1.00 0.60 O ATOM 873 CB ARG B 24 5.372 7.049 -0.105 1.00 0.55 C ATOM 874 CG ARG B 24 4.128 7.817 0.306 1.00 1.05 C ATOM 875 CD ARG B 24 3.874 7.714 1.802 1.00 1.09 C ATOM 876 NE ARG B 24 3.864 9.025 2.449 1.00 1.29 N ATOM 877 CZ ARG B 24 4.218 9.234 3.715 1.00 1.81 C ATOM 878 NH1 ARG B 24 4.602 8.223 4.486 1.00 2.28 N ATOM 879 NH2 ARG B 24 4.183 10.462 4.217 1.00 2.12 N ATOM 0 H ARG B 24 5.441 5.763 -2.225 1.00 0.45 H new ATOM 0 HA ARG B 24 5.593 8.554 -1.625 1.00 0.47 H new ATOM 0 HB2 ARG B 24 5.109 6.002 -0.258 1.00 0.55 H new ATOM 0 HB3 ARG B 24 6.095 7.080 0.711 1.00 0.55 H new ATOM 0 HG2 ARG B 24 4.238 8.865 0.027 1.00 1.05 H new ATOM 0 HG3 ARG B 24 3.266 7.431 -0.237 1.00 1.05 H new ATOM 0 HD2 ARG B 24 2.919 7.218 1.974 1.00 1.09 H new ATOM 0 HD3 ARG B 24 4.643 7.091 2.258 1.00 1.09 H new ATOM 0 HE ARG B 24 3.567 9.829 1.896 1.00 1.29 H new ATOM 0 HH11 ARG B 24 4.628 7.275 4.109 1.00 2.28 H new ATOM 0 HH12 ARG B 24 4.871 8.394 5.455 1.00 2.28 H new ATOM 0 HH21 ARG B 24 3.885 11.243 3.633 1.00 2.12 H new ATOM 0 HH22 ARG B 24 4.454 10.624 5.187 1.00 2.12 H new ATOM 893 N THR B 25 8.269 6.679 -1.155 1.00 0.52 N ATOM 894 CA THR B 25 9.711 6.722 -0.938 1.00 0.60 C ATOM 895 C THR B 25 10.407 7.553 -2.009 1.00 0.61 C ATOM 896 O THR B 25 11.151 8.484 -1.701 1.00 0.67 O ATOM 897 CB THR B 25 10.288 5.309 -0.931 1.00 0.64 C ATOM 898 OG1 THR B 25 9.280 4.355 -0.646 1.00 0.70 O ATOM 899 CG2 THR B 25 11.399 5.120 0.078 1.00 0.75 C ATOM 0 H THR B 25 7.895 5.743 -1.315 1.00 0.52 H new ATOM 0 HA THR B 25 9.887 7.191 0.030 1.00 0.60 H new ATOM 0 HB THR B 25 10.699 5.162 -1.930 1.00 0.64 H new ATOM 0 HG1 THR B 25 9.670 3.456 -0.648 1.00 0.70 H new ATOM 0 HG21 THR B 25 11.763 4.094 0.030 1.00 0.75 H new ATOM 0 HG22 THR B 25 12.216 5.806 -0.147 1.00 0.75 H new ATOM 0 HG23 THR B 25 11.020 5.324 1.079 1.00 0.75 H new ATOM 907 N ARG B 26 10.163 7.209 -3.271 1.00 0.61 N ATOM 908 CA ARG B 26 10.770 7.925 -4.388 1.00 0.68 C ATOM 909 C ARG B 26 10.557 9.425 -4.237 1.00 0.64 C ATOM 910 O ARG B 26 11.482 10.221 -4.418 1.00 0.71 O ATOM 911 CB ARG B 26 10.186 7.439 -5.716 1.00 0.72 C ATOM 912 CG ARG B 26 8.692 7.680 -5.851 1.00 0.67 C ATOM 913 CD ARG B 26 8.154 7.121 -7.158 1.00 1.10 C ATOM 914 NE ARG B 26 9.002 7.471 -8.296 1.00 1.56 N ATOM 915 CZ ARG B 26 8.973 8.653 -8.907 1.00 2.14 C ATOM 916 NH1 ARG B 26 8.141 9.601 -8.495 1.00 2.60 N ATOM 917 NH2 ARG B 26 9.780 8.888 -9.933 1.00 2.89 N ATOM 0 H ARG B 26 9.551 6.441 -3.545 1.00 0.61 H new ATOM 0 HA ARG B 26 11.841 7.723 -4.384 1.00 0.68 H new ATOM 0 HB2 ARG B 26 10.701 7.941 -6.535 1.00 0.72 H new ATOM 0 HB3 ARG B 26 10.384 6.372 -5.821 1.00 0.72 H new ATOM 0 HG2 ARG B 26 8.170 7.216 -5.014 1.00 0.67 H new ATOM 0 HG3 ARG B 26 8.489 8.750 -5.800 1.00 0.67 H new ATOM 0 HD2 ARG B 26 8.077 6.036 -7.084 1.00 1.10 H new ATOM 0 HD3 ARG B 26 7.146 7.501 -7.327 1.00 1.10 H new ATOM 0 HE ARG B 26 9.655 6.768 -8.642 1.00 1.56 H new ATOM 0 HH11 ARG B 26 7.519 9.426 -7.706 1.00 2.60 H new ATOM 0 HH12 ARG B 26 8.124 10.505 -8.967 1.00 2.60 H new ATOM 0 HH21 ARG B 26 10.422 8.163 -10.253 1.00 2.89 H new ATOM 0 HH22 ARG B 26 9.758 9.794 -10.402 1.00 2.89 H new ATOM 931 N LEU B 27 9.334 9.804 -3.884 1.00 0.57 N ATOM 932 CA LEU B 27 9.006 11.208 -3.689 1.00 0.55 C ATOM 933 C LEU B 27 9.841 11.787 -2.555 1.00 0.56 C ATOM 934 O LEU B 27 10.268 12.940 -2.611 1.00 0.61 O ATOM 935 CB LEU B 27 7.515 11.375 -3.385 1.00 0.51 C ATOM 936 CG LEU B 27 6.646 11.758 -4.585 1.00 0.60 C ATOM 937 CD1 LEU B 27 6.926 13.190 -5.013 1.00 1.38 C ATOM 938 CD2 LEU B 27 6.881 10.799 -5.743 1.00 1.34 C ATOM 0 H LEU B 27 8.558 9.161 -3.728 1.00 0.57 H new ATOM 0 HA LEU B 27 9.233 11.748 -4.608 1.00 0.55 H new ATOM 0 HB2 LEU B 27 7.139 10.441 -2.967 1.00 0.51 H new ATOM 0 HB3 LEU B 27 7.400 12.138 -2.615 1.00 0.51 H new ATOM 0 HG LEU B 27 5.600 11.687 -4.287 1.00 0.60 H new ATOM 0 HD11 LEU B 27 6.299 13.444 -5.867 1.00 1.38 H new ATOM 0 HD12 LEU B 27 6.705 13.866 -4.187 1.00 1.38 H new ATOM 0 HD13 LEU B 27 7.975 13.288 -5.292 1.00 1.38 H new ATOM 0 HD21 LEU B 27 6.254 11.087 -6.587 1.00 1.34 H new ATOM 0 HD22 LEU B 27 7.929 10.837 -6.040 1.00 1.34 H new ATOM 0 HD23 LEU B 27 6.628 9.785 -5.433 1.00 1.34 H new ATOM 950 N VAL B 28 10.085 10.972 -1.530 1.00 0.57 N ATOM 951 CA VAL B 28 10.885 11.406 -0.394 1.00 0.63 C ATOM 952 C VAL B 28 12.312 11.693 -0.833 1.00 0.73 C ATOM 953 O VAL B 28 12.890 12.719 -0.477 1.00 0.79 O ATOM 954 CB VAL B 28 10.906 10.351 0.726 1.00 0.66 C ATOM 955 CG1 VAL B 28 11.637 10.884 1.951 1.00 0.77 C ATOM 956 CG2 VAL B 28 9.491 9.920 1.085 1.00 0.63 C ATOM 0 H VAL B 28 9.741 10.014 -1.466 1.00 0.57 H new ATOM 0 HA VAL B 28 10.425 12.314 -0.004 1.00 0.63 H new ATOM 0 HB VAL B 28 11.445 9.476 0.363 1.00 0.66 H new ATOM 0 HG11 VAL B 28 11.641 10.123 2.732 1.00 0.77 H new ATOM 0 HG12 VAL B 28 12.663 11.134 1.682 1.00 0.77 H new ATOM 0 HG13 VAL B 28 11.130 11.777 2.317 1.00 0.77 H new ATOM 0 HG21 VAL B 28 9.528 9.174 1.879 1.00 0.63 H new ATOM 0 HG22 VAL B 28 8.923 10.785 1.427 1.00 0.63 H new ATOM 0 HG23 VAL B 28 9.007 9.492 0.207 1.00 0.63 H new ATOM 966 N GLN B 29 12.870 10.782 -1.626 1.00 0.80 N ATOM 967 CA GLN B 29 14.226 10.943 -2.134 1.00 0.92 C ATOM 968 C GLN B 29 14.378 12.311 -2.789 1.00 0.94 C ATOM 969 O GLN B 29 15.459 12.899 -2.787 1.00 1.02 O ATOM 970 CB GLN B 29 14.554 9.837 -3.140 1.00 1.05 C ATOM 971 CG GLN B 29 15.352 8.689 -2.543 1.00 1.34 C ATOM 972 CD GLN B 29 14.561 7.900 -1.518 1.00 1.63 C ATOM 973 OE1 GLN B 29 13.668 8.434 -0.860 1.00 2.33 O ATOM 974 NE2 GLN B 29 14.886 6.621 -1.376 1.00 1.99 N ATOM 0 H GLN B 29 12.404 9.927 -1.929 1.00 0.80 H new ATOM 0 HA GLN B 29 14.923 10.870 -1.299 1.00 0.92 H new ATOM 0 HB2 GLN B 29 13.624 9.446 -3.553 1.00 1.05 H new ATOM 0 HB3 GLN B 29 15.116 10.267 -3.969 1.00 1.05 H new ATOM 0 HG2 GLN B 29 15.673 8.020 -3.342 1.00 1.34 H new ATOM 0 HG3 GLN B 29 16.254 9.083 -2.075 1.00 1.34 H new ATOM 0 HE21 GLN B 29 15.633 6.219 -1.942 1.00 1.99 H new ATOM 0 HE22 GLN B 29 14.389 6.040 -0.701 1.00 1.99 H new ATOM 983 N GLN B 30 13.275 12.813 -3.337 1.00 0.93 N ATOM 984 CA GLN B 30 13.267 14.117 -3.982 1.00 1.05 C ATOM 985 C GLN B 30 13.286 15.229 -2.938 1.00 1.03 C ATOM 986 O GLN B 30 13.826 16.309 -3.180 1.00 1.16 O ATOM 987 CB GLN B 30 12.034 14.261 -4.876 1.00 1.14 C ATOM 988 CG GLN B 30 11.783 13.055 -5.767 1.00 1.56 C ATOM 989 CD GLN B 30 11.113 13.426 -7.075 1.00 1.85 C ATOM 990 OE1 GLN B 30 9.977 13.029 -7.338 1.00 2.32 O ATOM 991 NE2 GLN B 30 11.814 14.191 -7.903 1.00 2.39 N ATOM 0 H GLN B 30 12.375 12.333 -3.346 1.00 0.93 H new ATOM 0 HA GLN B 30 14.162 14.200 -4.599 1.00 1.05 H new ATOM 0 HB2 GLN B 30 11.158 14.427 -4.249 1.00 1.14 H new ATOM 0 HB3 GLN B 30 12.151 15.146 -5.501 1.00 1.14 H new ATOM 0 HG2 GLN B 30 12.731 12.559 -5.976 1.00 1.56 H new ATOM 0 HG3 GLN B 30 11.159 12.338 -5.234 1.00 1.56 H new ATOM 0 HE21 GLN B 30 12.752 14.497 -7.644 1.00 2.39 H new ATOM 0 HE22 GLN B 30 11.415 14.473 -8.798 1.00 2.39 H new ATOM 1000 N HIS B 31 12.699 14.958 -1.774 1.00 0.92 N ATOM 1001 CA HIS B 31 12.661 15.940 -0.695 1.00 1.01 C ATOM 1002 C HIS B 31 12.827 15.267 0.667 1.00 1.11 C ATOM 1003 O HIS B 31 11.936 15.329 1.515 1.00 1.33 O ATOM 1004 CB HIS B 31 11.351 16.735 -0.733 1.00 1.26 C ATOM 1005 CG HIS B 31 10.135 15.911 -0.452 1.00 1.85 C ATOM 1006 ND1 HIS B 31 9.575 15.061 -1.377 1.00 1.98 N ATOM 1007 CD2 HIS B 31 9.362 15.817 0.658 1.00 2.73 C ATOM 1008 CE1 HIS B 31 8.511 14.482 -0.855 1.00 2.71 C ATOM 1009 NE2 HIS B 31 8.359 14.922 0.381 1.00 3.18 N ATOM 0 H HIS B 31 12.246 14.071 -1.555 1.00 0.92 H new ATOM 0 HA HIS B 31 13.494 16.628 -0.842 1.00 1.01 H new ATOM 0 HB2 HIS B 31 11.407 17.544 -0.004 1.00 1.26 H new ATOM 0 HB3 HIS B 31 11.246 17.197 -1.715 1.00 1.26 H new ATOM 0 HD1 HIS B 31 9.928 14.903 -2.321 1.00 1.98 H new ATOM 0 HD2 HIS B 31 9.508 16.348 1.587 1.00 2.73 H new ATOM 0 HE1 HIS B 31 7.872 13.769 -1.354 1.00 2.71 H new ATOM 1018 N PRO B 32 13.979 14.611 0.894 1.00 1.38 N ATOM 1019 CA PRO B 32 14.259 13.924 2.156 1.00 1.79 C ATOM 1020 C PRO B 32 14.678 14.887 3.262 1.00 1.86 C ATOM 1021 O PRO B 32 14.231 14.771 4.403 1.00 2.31 O ATOM 1022 CB PRO B 32 15.415 12.996 1.790 1.00 2.24 C ATOM 1023 CG PRO B 32 16.138 13.711 0.701 1.00 2.17 C ATOM 1024 CD PRO B 32 15.095 14.487 -0.063 1.00 1.64 C ATOM 0 HA PRO B 32 13.382 13.410 2.549 1.00 1.79 H new ATOM 0 HB2 PRO B 32 16.065 12.816 2.646 1.00 2.24 H new ATOM 0 HB3 PRO B 32 15.053 12.024 1.454 1.00 2.24 H new ATOM 0 HG2 PRO B 32 16.896 14.378 1.111 1.00 2.17 H new ATOM 0 HG3 PRO B 32 16.653 13.006 0.049 1.00 2.17 H new ATOM 0 HD2 PRO B 32 15.469 15.464 -0.371 1.00 1.64 H new ATOM 0 HD3 PRO B 32 14.789 13.963 -0.968 1.00 1.64 H new ATOM 1032 N ARG B 33 15.535 15.836 2.912 1.00 2.06 N ATOM 1033 CA ARG B 33 16.019 16.824 3.871 1.00 2.26 C ATOM 1034 C ARG B 33 15.692 18.239 3.407 1.00 3.01 C ATOM 1035 O ARG B 33 15.566 19.130 4.272 1.00 3.62 O ATOM 1036 CB ARG B 33 17.529 16.677 4.071 1.00 2.19 C ATOM 1037 CG ARG B 33 17.987 15.234 4.215 1.00 2.87 C ATOM 1038 CD ARG B 33 18.583 14.704 2.919 1.00 3.48 C ATOM 1039 NE ARG B 33 20.041 14.626 2.979 1.00 4.18 N ATOM 1040 CZ ARG B 33 20.706 13.646 3.586 1.00 4.96 C ATOM 1041 NH1 ARG B 33 20.049 12.661 4.187 1.00 5.21 N ATOM 1042 NH2 ARG B 33 22.031 13.650 3.592 1.00 5.81 N ATOM 0 H ARG B 33 15.911 15.944 1.970 1.00 2.06 H new ATOM 0 HA ARG B 33 15.515 16.647 4.821 1.00 2.26 H new ATOM 0 HB2 ARG B 33 18.045 17.130 3.225 1.00 2.19 H new ATOM 0 HB3 ARG B 33 17.825 17.234 4.960 1.00 2.19 H new ATOM 0 HG2 ARG B 33 18.727 15.164 5.012 1.00 2.87 H new ATOM 0 HG3 ARG B 33 17.142 14.611 4.509 1.00 2.87 H new ATOM 0 HD2 ARG B 33 18.175 13.715 2.710 1.00 3.48 H new ATOM 0 HD3 ARG B 33 18.288 15.351 2.093 1.00 3.48 H new ATOM 0 HE ARG B 33 20.580 15.366 2.529 1.00 4.18 H new ATOM 0 HH11 ARG B 33 19.029 12.653 4.185 1.00 5.21 H new ATOM 0 HH12 ARG B 33 20.564 11.913 4.651 1.00 5.21 H new ATOM 0 HH21 ARG B 33 22.541 14.404 3.132 1.00 5.81 H new ATOM 0 HH22 ARG B 33 22.541 12.899 4.057 1.00 5.81 H new TER 1056 ARG B 33