USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.0929 X(o=-0.093,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.205 K(o=-0.21,f=-1.2) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0985 X(o=-0.098,f=-0.43) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0844 USER MOD Single : A 29 GLN : amide:sc= -0.584 K(o=-0.58,f=-4.3!) USER MOD Single : A 30 GLN : amide:sc= -0.0282 X(o=-0.028,f=0.19) USER MOD Single : A 31 HIS : no HE2:sc= -8.55! C(o=-8.5!,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= -0.213 X(o=-0.21,f=0.098) USER MOD Single : B 8 GLN : amide:sc=-0.000179 X(o=-0.00018,f=-0.078) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.43) 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= -0.147 USER MOD Single : B 29 GLN : amide:sc=-0.00241 X(o=-0.0024,f=0) USER MOD Single : B 30 GLN : amide:sc= -0.977 K(o=-0.98,f=-2.6!) USER MOD Single : B 31 HIS : no HE2:sc= -8.29! C(o=-8.3!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 14.764 24.018 -3.729 1.00 4.71 N ATOM 2 CA CYS A 1 13.682 24.124 -4.743 1.00 4.20 C ATOM 3 C CYS A 1 12.493 23.244 -4.374 1.00 3.72 C ATOM 4 O CYS A 1 12.613 22.020 -4.299 1.00 4.32 O ATOM 5 CB CYS A 1 14.247 23.707 -6.103 1.00 4.04 C ATOM 6 SG CYS A 1 13.529 24.597 -7.503 1.00 4.94 S ATOM 0 H1 CYS A 1 15.560 24.627 -4.006 1.00 4.71 H new ATOM 0 H2 CYS A 1 14.402 24.321 -2.802 1.00 4.71 H new ATOM 0 H3 CYS A 1 15.088 23.032 -3.669 1.00 4.71 H new ATOM 0 HA CYS A 1 13.327 25.154 -4.783 1.00 4.20 H new ATOM 0 HB2 CYS A 1 15.326 23.865 -6.100 1.00 4.04 H new ATOM 0 HB3 CYS A 1 14.081 22.639 -6.241 1.00 4.04 H new ATOM 0 HG CYS A 1 14.071 24.178 -8.608 1.00 4.94 H new ATOM 12 N GLY A 2 11.345 23.873 -4.143 1.00 3.04 N ATOM 13 CA GLY A 2 10.152 23.132 -3.786 1.00 2.89 C ATOM 14 C GLY A 2 9.925 23.084 -2.287 1.00 2.25 C ATOM 15 O GLY A 2 10.823 22.717 -1.529 1.00 2.72 O ATOM 0 H GLY A 2 11.221 24.884 -4.197 1.00 3.04 H new ATOM 0 HA2 GLY A 2 9.287 23.589 -4.267 1.00 2.89 H new ATOM 0 HA3 GLY A 2 10.231 22.115 -4.171 1.00 2.89 H new ATOM 19 N GLY A 3 8.723 23.455 -1.860 1.00 1.84 N ATOM 20 CA GLY A 3 8.404 23.444 -0.444 1.00 1.56 C ATOM 21 C GLY A 3 7.942 22.082 0.037 1.00 1.41 C ATOM 22 O GLY A 3 8.585 21.069 -0.238 1.00 1.64 O ATOM 0 H GLY A 3 7.964 23.763 -2.468 1.00 1.84 H new ATOM 0 HA2 GLY A 3 9.282 23.748 0.125 1.00 1.56 H new ATOM 0 HA3 GLY A 3 7.625 24.180 -0.245 1.00 1.56 H new ATOM 26 N ASP A 4 6.825 22.059 0.757 1.00 1.16 N ATOM 27 CA ASP A 4 6.278 20.812 1.278 1.00 1.32 C ATOM 28 C ASP A 4 5.246 20.216 0.325 1.00 1.31 C ATOM 29 O ASP A 4 4.497 19.313 0.695 1.00 1.72 O ATOM 30 CB ASP A 4 5.632 21.048 2.638 1.00 1.55 C ATOM 31 CG ASP A 4 6.612 21.588 3.662 1.00 2.07 C ATOM 32 OD1 ASP A 4 7.811 21.254 3.568 1.00 2.50 O ATOM 33 OD2 ASP A 4 6.179 22.345 4.555 1.00 2.71 O ATOM 0 H ASP A 4 6.281 22.889 0.993 1.00 1.16 H new ATOM 0 HA ASP A 4 7.103 20.107 1.380 1.00 1.32 H new ATOM 0 HB2 ASP A 4 4.805 21.749 2.527 1.00 1.55 H new ATOM 0 HB3 ASP A 4 5.209 20.112 3.003 1.00 1.55 H new ATOM 38 N ASN A 5 5.215 20.719 -0.904 1.00 1.09 N ATOM 39 CA ASN A 5 4.279 20.226 -1.909 1.00 1.25 C ATOM 40 C ASN A 5 4.394 18.714 -2.032 1.00 1.13 C ATOM 41 O ASN A 5 3.432 18.027 -2.379 1.00 1.48 O ATOM 42 CB ASN A 5 4.549 20.887 -3.262 1.00 1.53 C ATOM 43 CG ASN A 5 3.665 22.095 -3.502 1.00 2.03 C ATOM 44 OD1 ASN A 5 4.153 23.216 -3.650 1.00 2.64 O ATOM 45 ND2 ASN A 5 2.357 21.873 -3.543 1.00 2.27 N ATOM 0 H ASN A 5 5.827 21.468 -1.229 1.00 1.09 H new ATOM 0 HA ASN A 5 3.266 20.480 -1.596 1.00 1.25 H new ATOM 0 HB2 ASN A 5 5.595 21.190 -3.313 1.00 1.53 H new ATOM 0 HB3 ASN A 5 4.389 20.159 -4.057 1.00 1.53 H new ATOM 0 HD21 ASN A 5 1.713 22.648 -3.702 1.00 2.27 H new ATOM 0 HD22 ASN A 5 1.996 20.928 -3.415 1.00 2.27 H new ATOM 52 N ILE A 6 5.581 18.205 -1.729 1.00 0.80 N ATOM 53 CA ILE A 6 5.845 16.778 -1.783 1.00 0.71 C ATOM 54 C ILE A 6 5.329 16.096 -0.523 1.00 0.63 C ATOM 55 O ILE A 6 4.684 15.050 -0.587 1.00 0.60 O ATOM 56 CB ILE A 6 7.352 16.501 -1.924 1.00 0.75 C ATOM 57 CG1 ILE A 6 7.960 17.378 -3.023 1.00 1.10 C ATOM 58 CG2 ILE A 6 7.595 15.031 -2.215 1.00 1.03 C ATOM 59 CD1 ILE A 6 9.110 18.237 -2.543 1.00 1.80 C ATOM 0 H ILE A 6 6.382 18.768 -1.441 1.00 0.80 H new ATOM 0 HA ILE A 6 5.328 16.378 -2.655 1.00 0.71 H new ATOM 0 HB ILE A 6 7.839 16.750 -0.981 1.00 0.75 H new ATOM 0 HG12 ILE A 6 8.308 16.740 -3.835 1.00 1.10 H new ATOM 0 HG13 ILE A 6 7.183 18.022 -3.434 1.00 1.10 H new ATOM 0 HG21 ILE A 6 8.666 14.851 -2.312 1.00 1.03 H new ATOM 0 HG22 ILE A 6 7.198 14.428 -1.398 1.00 1.03 H new ATOM 0 HG23 ILE A 6 7.096 14.757 -3.144 1.00 1.03 H new ATOM 0 HD11 ILE A 6 9.492 18.831 -3.373 1.00 1.80 H new ATOM 0 HD12 ILE A 6 8.763 18.901 -1.751 1.00 1.80 H new ATOM 0 HD13 ILE A 6 9.905 17.598 -2.158 1.00 1.80 H new ATOM 71 N GLU A 7 5.617 16.708 0.621 1.00 0.66 N ATOM 72 CA GLU A 7 5.185 16.179 1.910 1.00 0.63 C ATOM 73 C GLU A 7 3.670 16.018 1.949 1.00 0.59 C ATOM 74 O GLU A 7 3.145 15.139 2.631 1.00 0.56 O ATOM 75 CB GLU A 7 5.640 17.102 3.042 1.00 0.76 C ATOM 76 CG GLU A 7 5.251 16.607 4.425 1.00 0.78 C ATOM 77 CD GLU A 7 4.064 17.356 5.000 1.00 1.41 C ATOM 78 OE1 GLU A 7 2.939 17.165 4.491 1.00 1.96 O ATOM 79 OE2 GLU A 7 4.260 18.135 5.956 1.00 2.15 O ATOM 0 H GLU A 7 6.151 17.575 0.682 1.00 0.66 H new ATOM 0 HA GLU A 7 5.642 15.198 2.045 1.00 0.63 H new ATOM 0 HB2 GLU A 7 6.723 17.212 2.996 1.00 0.76 H new ATOM 0 HB3 GLU A 7 5.212 18.092 2.886 1.00 0.76 H new ATOM 0 HG2 GLU A 7 5.015 15.544 4.373 1.00 0.78 H new ATOM 0 HG3 GLU A 7 6.103 16.712 5.097 1.00 0.78 H new ATOM 86 N GLN A 8 2.972 16.868 1.205 1.00 0.64 N ATOM 87 CA GLN A 8 1.519 16.811 1.147 1.00 0.64 C ATOM 88 C GLN A 8 1.074 15.705 0.198 1.00 0.58 C ATOM 89 O GLN A 8 0.129 14.967 0.480 1.00 0.60 O ATOM 90 CB GLN A 8 0.953 18.155 0.689 1.00 0.74 C ATOM 91 CG GLN A 8 -0.559 18.256 0.818 1.00 1.08 C ATOM 92 CD GLN A 8 -1.000 19.476 1.602 1.00 1.55 C ATOM 93 OE1 GLN A 8 -0.297 20.486 1.647 1.00 2.21 O ATOM 94 NE2 GLN A 8 -2.168 19.388 2.226 1.00 2.21 N ATOM 0 H GLN A 8 3.389 17.603 0.635 1.00 0.64 H new ATOM 0 HA GLN A 8 1.139 16.593 2.145 1.00 0.64 H new ATOM 0 HB2 GLN A 8 1.413 18.951 1.274 1.00 0.74 H new ATOM 0 HB3 GLN A 8 1.232 18.322 -0.351 1.00 0.74 H new ATOM 0 HG2 GLN A 8 -1.003 18.289 -0.177 1.00 1.08 H new ATOM 0 HG3 GLN A 8 -0.938 17.359 1.307 1.00 1.08 H new ATOM 0 HE21 GLN A 8 -2.718 18.531 2.161 1.00 2.21 H new ATOM 0 HE22 GLN A 8 -2.516 20.177 2.770 1.00 2.21 H new ATOM 103 N LYS A 9 1.771 15.597 -0.927 1.00 0.56 N ATOM 104 CA LYS A 9 1.462 14.582 -1.922 1.00 0.54 C ATOM 105 C LYS A 9 1.643 13.185 -1.341 1.00 0.47 C ATOM 106 O LYS A 9 0.908 12.260 -1.686 1.00 0.52 O ATOM 107 CB LYS A 9 2.354 14.755 -3.154 1.00 0.59 C ATOM 108 CG LYS A 9 1.752 15.661 -4.217 1.00 0.86 C ATOM 109 CD LYS A 9 2.773 16.021 -5.284 1.00 1.16 C ATOM 110 CE LYS A 9 2.939 14.899 -6.297 1.00 1.65 C ATOM 111 NZ LYS A 9 2.125 15.132 -7.522 1.00 2.42 N ATOM 0 H LYS A 9 2.555 16.202 -1.172 1.00 0.56 H new ATOM 0 HA LYS A 9 0.420 14.703 -2.219 1.00 0.54 H new ATOM 0 HB2 LYS A 9 3.315 15.163 -2.842 1.00 0.59 H new ATOM 0 HB3 LYS A 9 2.550 13.776 -3.591 1.00 0.59 H new ATOM 0 HG2 LYS A 9 0.900 15.164 -4.680 1.00 0.86 H new ATOM 0 HG3 LYS A 9 1.375 16.571 -3.750 1.00 0.86 H new ATOM 0 HD2 LYS A 9 2.461 16.931 -5.796 1.00 1.16 H new ATOM 0 HD3 LYS A 9 3.733 16.233 -4.814 1.00 1.16 H new ATOM 0 HE2 LYS A 9 3.990 14.810 -6.571 1.00 1.65 H new ATOM 0 HE3 LYS A 9 2.647 13.953 -5.842 1.00 1.65 H new ATOM 0 HZ1 LYS A 9 2.266 14.345 -8.187 1.00 2.42 H new ATOM 0 HZ2 LYS A 9 1.119 15.192 -7.264 1.00 2.42 H new ATOM 0 HZ3 LYS A 9 2.421 16.022 -7.971 1.00 2.42 H new ATOM 125 N ILE A 10 2.622 13.036 -0.453 1.00 0.42 N ATOM 126 CA ILE A 10 2.885 11.746 0.171 1.00 0.38 C ATOM 127 C ILE A 10 1.810 11.396 1.189 1.00 0.38 C ATOM 128 O ILE A 10 1.338 10.262 1.234 1.00 0.38 O ATOM 129 CB ILE A 10 4.255 11.697 0.869 1.00 0.40 C ATOM 130 CG1 ILE A 10 4.445 12.892 1.804 1.00 0.44 C ATOM 131 CG2 ILE A 10 5.374 11.636 -0.157 1.00 0.46 C ATOM 132 CD1 ILE A 10 5.670 12.777 2.685 1.00 0.95 C ATOM 0 H ILE A 10 3.242 13.788 -0.152 1.00 0.42 H new ATOM 0 HA ILE A 10 2.881 11.018 -0.640 1.00 0.38 H new ATOM 0 HB ILE A 10 4.290 10.792 1.475 1.00 0.40 H new ATOM 0 HG12 ILE A 10 4.519 13.802 1.208 1.00 0.44 H new ATOM 0 HG13 ILE A 10 3.562 12.995 2.434 1.00 0.44 H new ATOM 0 HG21 ILE A 10 6.336 11.602 0.355 1.00 0.46 H new ATOM 0 HG22 ILE A 10 5.257 10.742 -0.770 1.00 0.46 H new ATOM 0 HG23 ILE A 10 5.333 12.520 -0.793 1.00 0.46 H new ATOM 0 HD11 ILE A 10 5.744 13.658 3.322 1.00 0.95 H new ATOM 0 HD12 ILE A 10 5.589 11.885 3.306 1.00 0.95 H new ATOM 0 HD13 ILE A 10 6.561 12.705 2.061 1.00 0.95 H new ATOM 144 N ASP A 11 1.417 12.374 2.002 1.00 0.41 N ATOM 145 CA ASP A 11 0.386 12.151 3.010 1.00 0.46 C ATOM 146 C ASP A 11 -0.830 11.497 2.370 1.00 0.46 C ATOM 147 O ASP A 11 -1.504 10.660 2.978 1.00 0.50 O ATOM 148 CB ASP A 11 -0.012 13.473 3.669 1.00 0.54 C ATOM 149 CG ASP A 11 -0.288 13.320 5.152 1.00 0.75 C ATOM 150 OD1 ASP A 11 -1.258 12.617 5.506 1.00 1.32 O ATOM 151 OD2 ASP A 11 0.465 13.903 5.960 1.00 1.48 O ATOM 0 H ASP A 11 1.794 13.321 1.982 1.00 0.41 H new ATOM 0 HA ASP A 11 0.784 11.488 3.778 1.00 0.46 H new ATOM 0 HB2 ASP A 11 0.785 14.202 3.524 1.00 0.54 H new ATOM 0 HB3 ASP A 11 -0.900 13.869 3.176 1.00 0.54 H new ATOM 156 N ASP A 12 -1.084 11.868 1.123 1.00 0.46 N ATOM 157 CA ASP A 12 -2.199 11.309 0.376 1.00 0.51 C ATOM 158 C ASP A 12 -1.939 9.837 0.105 1.00 0.48 C ATOM 159 O ASP A 12 -2.793 8.982 0.346 1.00 0.52 O ATOM 160 CB ASP A 12 -2.394 12.061 -0.942 1.00 0.56 C ATOM 161 CG ASP A 12 -3.660 11.644 -1.663 1.00 0.70 C ATOM 162 OD1 ASP A 12 -3.685 10.527 -2.222 1.00 1.28 O ATOM 163 OD2 ASP A 12 -4.628 12.435 -1.672 1.00 1.41 O ATOM 0 H ASP A 12 -0.532 12.554 0.608 1.00 0.46 H new ATOM 0 HA ASP A 12 -3.109 11.413 0.967 1.00 0.51 H new ATOM 0 HB2 ASP A 12 -2.428 13.132 -0.744 1.00 0.56 H new ATOM 0 HB3 ASP A 12 -1.535 11.883 -1.589 1.00 0.56 H new ATOM 168 N ILE A 13 -0.736 9.548 -0.378 1.00 0.43 N ATOM 169 CA ILE A 13 -0.340 8.180 -0.664 1.00 0.44 C ATOM 170 C ILE A 13 -0.409 7.334 0.600 1.00 0.44 C ATOM 171 O ILE A 13 -0.951 6.236 0.588 1.00 0.47 O ATOM 172 CB ILE A 13 1.087 8.114 -1.242 1.00 0.42 C ATOM 173 CG1 ILE A 13 1.222 9.068 -2.430 1.00 0.44 C ATOM 174 CG2 ILE A 13 1.431 6.689 -1.652 1.00 0.48 C ATOM 175 CD1 ILE A 13 2.567 8.994 -3.121 1.00 0.47 C ATOM 0 H ILE A 13 -0.020 10.246 -0.579 1.00 0.43 H new ATOM 0 HA ILE A 13 -1.034 7.788 -1.408 1.00 0.44 H new ATOM 0 HB ILE A 13 1.791 8.424 -0.470 1.00 0.42 H new ATOM 0 HG12 ILE A 13 0.439 8.845 -3.154 1.00 0.44 H new ATOM 0 HG13 ILE A 13 1.056 10.089 -2.085 1.00 0.44 H new ATOM 0 HG21 ILE A 13 2.442 6.661 -2.058 1.00 0.48 H new ATOM 0 HG22 ILE A 13 1.371 6.036 -0.782 1.00 0.48 H new ATOM 0 HG23 ILE A 13 0.726 6.348 -2.410 1.00 0.48 H new ATOM 0 HD11 ILE A 13 2.588 9.698 -3.953 1.00 0.47 H new ATOM 0 HD12 ILE A 13 3.355 9.247 -2.411 1.00 0.47 H new ATOM 0 HD13 ILE A 13 2.728 7.984 -3.497 1.00 0.47 H new ATOM 187 N ASP A 14 0.135 7.863 1.695 1.00 0.43 N ATOM 188 CA ASP A 14 0.130 7.160 2.975 1.00 0.47 C ATOM 189 C ASP A 14 -1.258 6.621 3.300 1.00 0.51 C ATOM 190 O ASP A 14 -1.398 5.553 3.898 1.00 0.55 O ATOM 191 CB ASP A 14 0.599 8.092 4.093 1.00 0.49 C ATOM 192 CG ASP A 14 1.468 7.381 5.112 1.00 0.61 C ATOM 193 OD1 ASP A 14 2.251 6.496 4.709 1.00 1.26 O ATOM 194 OD2 ASP A 14 1.364 7.708 6.313 1.00 1.29 O ATOM 0 H ASP A 14 0.585 8.778 1.720 1.00 0.43 H new ATOM 0 HA ASP A 14 0.817 6.317 2.897 1.00 0.47 H new ATOM 0 HB2 ASP A 14 1.157 8.922 3.660 1.00 0.49 H new ATOM 0 HB3 ASP A 14 -0.269 8.519 4.595 1.00 0.49 H new ATOM 199 N HIS A 15 -2.281 7.363 2.894 1.00 0.51 N ATOM 200 CA HIS A 15 -3.657 6.955 3.134 1.00 0.56 C ATOM 201 C HIS A 15 -4.043 5.816 2.201 1.00 0.57 C ATOM 202 O HIS A 15 -4.892 4.987 2.530 1.00 0.62 O ATOM 203 CB HIS A 15 -4.602 8.138 2.930 1.00 0.59 C ATOM 204 CG HIS A 15 -5.867 8.038 3.724 1.00 0.73 C ATOM 205 ND1 HIS A 15 -6.193 6.936 4.486 1.00 0.87 N ATOM 206 CD2 HIS A 15 -6.892 8.912 3.872 1.00 0.98 C ATOM 207 CE1 HIS A 15 -7.363 7.135 5.068 1.00 1.04 C ATOM 208 NE2 HIS A 15 -7.807 8.327 4.712 1.00 1.11 N ATOM 0 H HIS A 15 -2.183 8.249 2.398 1.00 0.51 H new ATOM 0 HA HIS A 15 -3.740 6.609 4.164 1.00 0.56 H new ATOM 0 HB2 HIS A 15 -4.084 9.057 3.202 1.00 0.59 H new ATOM 0 HB3 HIS A 15 -4.852 8.214 1.872 1.00 0.59 H new ATOM 0 HD2 HIS A 15 -6.974 9.887 3.415 1.00 0.98 H new ATOM 0 HE1 HIS A 15 -7.869 6.441 5.723 1.00 1.04 H new ATOM 0 HE2 HIS A 15 -8.687 8.745 5.013 1.00 1.11 H new ATOM 217 N GLU A 16 -3.412 5.785 1.033 1.00 0.54 N ATOM 218 CA GLU A 16 -3.688 4.753 0.047 1.00 0.57 C ATOM 219 C GLU A 16 -2.862 3.500 0.319 1.00 0.57 C ATOM 220 O GLU A 16 -3.317 2.383 0.080 1.00 0.63 O ATOM 221 CB GLU A 16 -3.399 5.276 -1.360 1.00 0.56 C ATOM 222 CG GLU A 16 -3.891 6.695 -1.594 1.00 0.57 C ATOM 223 CD GLU A 16 -3.266 7.335 -2.817 1.00 1.30 C ATOM 224 OE1 GLU A 16 -2.150 6.923 -3.197 1.00 1.99 O ATOM 225 OE2 GLU A 16 -3.892 8.250 -3.394 1.00 2.07 O ATOM 0 H GLU A 16 -2.706 6.464 0.748 1.00 0.54 H new ATOM 0 HA GLU A 16 -4.743 4.489 0.120 1.00 0.57 H new ATOM 0 HB2 GLU A 16 -2.324 5.239 -1.539 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -3.867 4.613 -2.088 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -4.975 6.685 -1.708 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -3.668 7.302 -0.717 1.00 0.57 H new ATOM 232 N ILE A 17 -1.649 3.695 0.823 1.00 0.54 N ATOM 233 CA ILE A 17 -0.756 2.587 1.133 1.00 0.57 C ATOM 234 C ILE A 17 -1.337 1.718 2.242 1.00 0.59 C ATOM 235 O ILE A 17 -1.118 0.507 2.281 1.00 0.62 O ATOM 236 CB ILE A 17 0.632 3.092 1.570 1.00 0.59 C ATOM 237 CG1 ILE A 17 1.166 4.117 0.571 1.00 0.57 C ATOM 238 CG2 ILE A 17 1.603 1.928 1.708 1.00 0.66 C ATOM 239 CD1 ILE A 17 2.114 5.122 1.185 1.00 0.94 C ATOM 0 H ILE A 17 -1.261 4.616 1.026 1.00 0.54 H new ATOM 0 HA ILE A 17 -0.650 1.996 0.223 1.00 0.57 H new ATOM 0 HB ILE A 17 0.533 3.576 2.542 1.00 0.59 H new ATOM 0 HG12 ILE A 17 1.678 3.593 -0.236 1.00 0.57 H new ATOM 0 HG13 ILE A 17 0.326 4.648 0.124 1.00 0.57 H new ATOM 0 HG21 ILE A 17 2.579 2.303 2.017 1.00 0.66 H new ATOM 0 HG22 ILE A 17 1.229 1.229 2.456 1.00 0.66 H new ATOM 0 HG23 ILE A 17 1.698 1.418 0.750 1.00 0.66 H new ATOM 0 HD11 ILE A 17 2.453 5.818 0.418 1.00 0.94 H new ATOM 0 HD12 ILE A 17 1.600 5.673 1.973 1.00 0.94 H new ATOM 0 HD13 ILE A 17 2.973 4.601 1.607 1.00 0.94 H new ATOM 251 N ALA A 18 -2.076 2.352 3.145 1.00 0.58 N ATOM 252 CA ALA A 18 -2.692 1.651 4.265 1.00 0.61 C ATOM 253 C ALA A 18 -3.976 0.947 3.841 1.00 0.62 C ATOM 254 O ALA A 18 -4.256 -0.169 4.277 1.00 0.66 O ATOM 255 CB ALA A 18 -2.970 2.624 5.402 1.00 0.65 C ATOM 0 H ALA A 18 -2.264 3.354 3.123 1.00 0.58 H new ATOM 0 HA ALA A 18 -1.994 0.889 4.612 1.00 0.61 H new ATOM 0 HB1 ALA A 18 -3.430 2.090 6.233 1.00 0.65 H new ATOM 0 HB2 ALA A 18 -2.034 3.074 5.733 1.00 0.65 H new ATOM 0 HB3 ALA A 18 -3.645 3.406 5.055 1.00 0.65 H new ATOM 261 N ASP A 19 -4.757 1.607 2.989 1.00 0.61 N ATOM 262 CA ASP A 19 -6.014 1.042 2.509 1.00 0.64 C ATOM 263 C ASP A 19 -5.798 -0.344 1.909 1.00 0.61 C ATOM 264 O ASP A 19 -6.573 -1.268 2.160 1.00 0.66 O ATOM 265 CB ASP A 19 -6.648 1.968 1.469 1.00 0.66 C ATOM 266 CG ASP A 19 -8.158 2.015 1.581 1.00 1.09 C ATOM 267 OD1 ASP A 19 -8.761 0.977 1.929 1.00 1.64 O ATOM 268 OD2 ASP A 19 -8.740 3.089 1.321 1.00 1.79 O ATOM 0 H ASP A 19 -4.541 2.532 2.618 1.00 0.61 H new ATOM 0 HA ASP A 19 -6.688 0.946 3.361 1.00 0.64 H new ATOM 0 HB2 ASP A 19 -6.246 2.974 1.589 1.00 0.66 H new ATOM 0 HB3 ASP A 19 -6.371 1.631 0.470 1.00 0.66 H new ATOM 273 N LEU A 20 -4.742 -0.481 1.115 1.00 0.56 N ATOM 274 CA LEU A 20 -4.427 -1.755 0.478 1.00 0.54 C ATOM 275 C LEU A 20 -3.974 -2.787 1.506 1.00 0.52 C ATOM 276 O LEU A 20 -4.521 -3.887 1.578 1.00 0.50 O ATOM 277 CB LEU A 20 -3.341 -1.567 -0.583 1.00 0.58 C ATOM 278 CG LEU A 20 -3.536 -0.372 -1.518 1.00 0.58 C ATOM 279 CD1 LEU A 20 -2.590 -0.469 -2.704 1.00 0.63 C ATOM 280 CD2 LEU A 20 -4.980 -0.287 -1.993 1.00 0.62 C ATOM 0 H LEU A 20 -4.090 0.273 0.897 1.00 0.56 H new ATOM 0 HA LEU A 20 -5.335 -2.122 -0.001 1.00 0.54 H new ATOM 0 HB2 LEU A 20 -2.380 -1.460 -0.080 1.00 0.58 H new ATOM 0 HB3 LEU A 20 -3.286 -2.473 -1.186 1.00 0.58 H new ATOM 0 HG LEU A 20 -3.307 0.538 -0.963 1.00 0.58 H new ATOM 0 HD11 LEU A 20 -2.740 0.388 -3.360 1.00 0.63 H new ATOM 0 HD12 LEU A 20 -1.560 -0.477 -2.348 1.00 0.63 H new ATOM 0 HD13 LEU A 20 -2.791 -1.388 -3.255 1.00 0.63 H new ATOM 0 HD21 LEU A 20 -5.095 0.570 -2.656 1.00 0.62 H new ATOM 0 HD22 LEU A 20 -5.241 -1.199 -2.530 1.00 0.62 H new ATOM 0 HD23 LEU A 20 -5.640 -0.171 -1.133 1.00 0.62 H new ATOM 292 N GLN A 21 -2.964 -2.429 2.293 1.00 0.54 N ATOM 293 CA GLN A 21 -2.429 -3.327 3.311 1.00 0.55 C ATOM 294 C GLN A 21 -3.533 -3.851 4.226 1.00 0.53 C ATOM 295 O GLN A 21 -3.466 -4.980 4.711 1.00 0.53 O ATOM 296 CB GLN A 21 -1.362 -2.611 4.140 1.00 0.60 C ATOM 297 CG GLN A 21 -0.361 -3.555 4.789 1.00 0.87 C ATOM 298 CD GLN A 21 0.918 -2.853 5.201 1.00 1.25 C ATOM 299 OE1 GLN A 21 1.763 -2.534 4.364 1.00 1.99 O ATOM 300 NE2 GLN A 21 1.068 -2.609 6.498 1.00 1.74 N ATOM 0 H GLN A 21 -2.499 -1.522 2.245 1.00 0.54 H new ATOM 0 HA GLN A 21 -1.978 -4.178 2.801 1.00 0.55 H new ATOM 0 HB2 GLN A 21 -0.826 -1.910 3.500 1.00 0.60 H new ATOM 0 HB3 GLN A 21 -1.851 -2.023 4.917 1.00 0.60 H new ATOM 0 HG2 GLN A 21 -0.817 -4.016 5.665 1.00 0.87 H new ATOM 0 HG3 GLN A 21 -0.122 -4.360 4.094 1.00 0.87 H new ATOM 0 HE21 GLN A 21 0.342 -2.891 7.157 1.00 1.74 H new ATOM 0 HE22 GLN A 21 1.909 -2.140 6.835 1.00 1.74 H new ATOM 309 N ALA A 22 -4.546 -3.024 4.461 1.00 0.55 N ATOM 310 CA ALA A 22 -5.661 -3.407 5.319 1.00 0.57 C ATOM 311 C ALA A 22 -6.573 -4.412 4.622 1.00 0.55 C ATOM 312 O ALA A 22 -7.211 -5.240 5.273 1.00 0.65 O ATOM 313 CB ALA A 22 -6.451 -2.176 5.736 1.00 0.65 C ATOM 0 H ALA A 22 -4.618 -2.085 4.070 1.00 0.55 H new ATOM 0 HA ALA A 22 -5.254 -3.885 6.210 1.00 0.57 H new ATOM 0 HB1 ALA A 22 -7.281 -2.476 6.376 1.00 0.65 H new ATOM 0 HB2 ALA A 22 -5.800 -1.493 6.282 1.00 0.65 H new ATOM 0 HB3 ALA A 22 -6.840 -1.675 4.849 1.00 0.65 H new ATOM 319 N LYS A 23 -6.632 -4.331 3.297 1.00 0.53 N ATOM 320 CA LYS A 23 -7.471 -5.232 2.514 1.00 0.55 C ATOM 321 C LYS A 23 -6.867 -6.632 2.448 1.00 0.50 C ATOM 322 O LYS A 23 -7.589 -7.629 2.448 1.00 0.57 O ATOM 323 CB LYS A 23 -7.661 -4.677 1.100 1.00 0.61 C ATOM 324 CG LYS A 23 -9.080 -4.208 0.818 1.00 0.70 C ATOM 325 CD LYS A 23 -9.143 -2.700 0.629 1.00 0.79 C ATOM 326 CE LYS A 23 -9.220 -2.326 -0.842 1.00 0.96 C ATOM 327 NZ LYS A 23 -9.437 -0.865 -1.034 1.00 1.53 N ATOM 0 H LYS A 23 -6.110 -3.652 2.743 1.00 0.53 H new ATOM 0 HA LYS A 23 -8.441 -5.304 3.007 1.00 0.55 H new ATOM 0 HB2 LYS A 23 -6.975 -3.843 0.950 1.00 0.61 H new ATOM 0 HB3 LYS A 23 -7.391 -5.446 0.377 1.00 0.61 H new ATOM 0 HG2 LYS A 23 -9.457 -4.704 -0.077 1.00 0.70 H new ATOM 0 HG3 LYS A 23 -9.731 -4.500 1.642 1.00 0.70 H new ATOM 0 HD2 LYS A 23 -10.013 -2.303 1.153 1.00 0.79 H new ATOM 0 HD3 LYS A 23 -8.263 -2.239 1.077 1.00 0.79 H new ATOM 0 HE2 LYS A 23 -8.298 -2.625 -1.341 1.00 0.96 H new ATOM 0 HE3 LYS A 23 -10.032 -2.879 -1.315 1.00 0.96 H new ATOM 0 HZ1 LYS A 23 -9.484 -0.652 -2.051 1.00 1.53 H new ATOM 0 HZ2 LYS A 23 -10.329 -0.584 -0.580 1.00 1.53 H new ATOM 0 HZ3 LYS A 23 -8.650 -0.338 -0.605 1.00 1.53 H new ATOM 341 N ARG A 24 -5.542 -6.700 2.388 1.00 0.46 N ATOM 342 CA ARG A 24 -4.845 -7.981 2.314 1.00 0.50 C ATOM 343 C ARG A 24 -5.030 -8.788 3.597 1.00 0.52 C ATOM 344 O ARG A 24 -5.332 -9.980 3.551 1.00 0.60 O ATOM 345 CB ARG A 24 -3.356 -7.757 2.052 1.00 0.61 C ATOM 346 CG ARG A 24 -2.920 -8.158 0.652 1.00 1.15 C ATOM 347 CD ARG A 24 -1.460 -8.581 0.619 1.00 1.41 C ATOM 348 NE ARG A 24 -1.295 -9.943 0.114 1.00 1.70 N ATOM 349 CZ ARG A 24 -0.290 -10.748 0.457 1.00 2.38 C ATOM 350 NH1 ARG A 24 0.648 -10.335 1.302 1.00 2.89 N ATOM 351 NH2 ARG A 24 -0.222 -11.972 -0.049 1.00 2.74 N ATOM 0 H ARG A 24 -4.929 -5.885 2.389 1.00 0.46 H new ATOM 0 HA ARG A 24 -5.276 -8.549 1.489 1.00 0.50 H new ATOM 0 HB2 ARG A 24 -3.122 -6.704 2.209 1.00 0.61 H new ATOM 0 HB3 ARG A 24 -2.777 -8.325 2.781 1.00 0.61 H new ATOM 0 HG2 ARG A 24 -3.545 -8.977 0.297 1.00 1.15 H new ATOM 0 HG3 ARG A 24 -3.072 -7.322 -0.030 1.00 1.15 H new ATOM 0 HD2 ARG A 24 -0.897 -7.891 -0.009 1.00 1.41 H new ATOM 0 HD3 ARG A 24 -1.040 -8.513 1.623 1.00 1.41 H new ATOM 0 HE ARG A 24 -1.992 -10.299 -0.541 1.00 1.70 H new ATOM 0 HH11 ARG A 24 0.603 -9.395 1.694 1.00 2.89 H new ATOM 0 HH12 ARG A 24 1.413 -10.958 1.559 1.00 2.89 H new ATOM 0 HH21 ARG A 24 -0.938 -12.296 -0.699 1.00 2.74 H new ATOM 0 HH22 ARG A 24 0.546 -12.590 0.212 1.00 2.74 H new ATOM 365 N THR A 25 -4.843 -8.133 4.738 1.00 0.53 N ATOM 366 CA THR A 25 -4.982 -8.792 6.031 1.00 0.60 C ATOM 367 C THR A 25 -6.393 -9.334 6.218 1.00 0.59 C ATOM 368 O THR A 25 -6.585 -10.525 6.454 1.00 0.67 O ATOM 369 CB THR A 25 -4.652 -7.820 7.161 1.00 0.66 C ATOM 370 OG1 THR A 25 -3.902 -6.720 6.678 1.00 0.77 O ATOM 371 CG2 THR A 25 -3.865 -8.456 8.286 1.00 0.81 C ATOM 0 H THR A 25 -4.595 -7.145 4.793 1.00 0.53 H new ATOM 0 HA THR A 25 -4.282 -9.627 6.058 1.00 0.60 H new ATOM 0 HB THR A 25 -5.616 -7.496 7.552 1.00 0.66 H new ATOM 0 HG1 THR A 25 -3.703 -6.109 7.418 1.00 0.77 H new ATOM 0 HG21 THR A 25 -3.664 -7.711 9.056 1.00 0.81 H new ATOM 0 HG22 THR A 25 -4.442 -9.275 8.716 1.00 0.81 H new ATOM 0 HG23 THR A 25 -2.922 -8.841 7.898 1.00 0.81 H new ATOM 379 N ARG A 26 -7.377 -8.447 6.112 1.00 0.56 N ATOM 380 CA ARG A 26 -8.775 -8.837 6.272 1.00 0.61 C ATOM 381 C ARG A 26 -9.085 -10.063 5.422 1.00 0.58 C ATOM 382 O ARG A 26 -9.797 -10.972 5.851 1.00 0.65 O ATOM 383 CB ARG A 26 -9.700 -7.679 5.891 1.00 0.64 C ATOM 384 CG ARG A 26 -9.596 -7.265 4.433 1.00 0.59 C ATOM 385 CD ARG A 26 -10.666 -6.248 4.066 1.00 1.02 C ATOM 386 NE ARG A 26 -12.013 -6.786 4.239 1.00 1.36 N ATOM 387 CZ ARG A 26 -13.106 -6.032 4.345 1.00 1.88 C ATOM 388 NH1 ARG A 26 -13.014 -4.709 4.296 1.00 2.38 N ATOM 389 NH2 ARG A 26 -14.292 -6.603 4.498 1.00 2.54 N ATOM 0 H ARG A 26 -7.234 -7.456 5.917 1.00 0.56 H new ATOM 0 HA ARG A 26 -8.946 -9.087 7.319 1.00 0.61 H new ATOM 0 HB2 ARG A 26 -10.730 -7.963 6.106 1.00 0.64 H new ATOM 0 HB3 ARG A 26 -9.469 -6.820 6.520 1.00 0.64 H new ATOM 0 HG2 ARG A 26 -8.610 -6.842 4.243 1.00 0.59 H new ATOM 0 HG3 ARG A 26 -9.694 -8.144 3.796 1.00 0.59 H new ATOM 0 HD2 ARG A 26 -10.548 -5.358 4.685 1.00 1.02 H new ATOM 0 HD3 ARG A 26 -10.530 -5.936 3.030 1.00 1.02 H new ATOM 0 HE ARG A 26 -12.123 -7.799 4.281 1.00 1.36 H new ATOM 0 HH11 ARG A 26 -12.103 -4.265 4.177 1.00 2.38 H new ATOM 0 HH12 ARG A 26 -13.854 -4.136 4.378 1.00 2.38 H new ATOM 0 HH21 ARG A 26 -14.368 -7.620 4.535 1.00 2.54 H new ATOM 0 HH22 ARG A 26 -15.129 -6.026 4.579 1.00 2.54 H new ATOM 403 N LEU A 27 -8.527 -10.087 4.218 1.00 0.51 N ATOM 404 CA LEU A 27 -8.725 -11.205 3.311 1.00 0.51 C ATOM 405 C LEU A 27 -8.052 -12.456 3.862 1.00 0.53 C ATOM 406 O LEU A 27 -8.598 -13.555 3.777 1.00 0.59 O ATOM 407 CB LEU A 27 -8.168 -10.875 1.925 1.00 0.47 C ATOM 408 CG LEU A 27 -9.106 -10.070 1.027 1.00 0.66 C ATOM 409 CD1 LEU A 27 -8.312 -9.148 0.115 1.00 1.31 C ATOM 410 CD2 LEU A 27 -9.990 -10.999 0.210 1.00 1.35 C ATOM 0 H LEU A 27 -7.934 -9.344 3.849 1.00 0.51 H new ATOM 0 HA LEU A 27 -9.795 -11.391 3.220 1.00 0.51 H new ATOM 0 HB2 LEU A 27 -7.239 -10.318 2.047 1.00 0.47 H new ATOM 0 HB3 LEU A 27 -7.917 -11.807 1.419 1.00 0.47 H new ATOM 0 HG LEU A 27 -9.746 -9.457 1.661 1.00 0.66 H new ATOM 0 HD11 LEU A 27 -8.997 -8.583 -0.517 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -7.723 -8.458 0.719 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -7.646 -9.741 -0.512 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -10.651 -10.408 -0.424 1.00 1.35 H new ATOM 0 HD22 LEU A 27 -9.366 -11.639 -0.414 1.00 1.35 H new ATOM 0 HD23 LEU A 27 -10.587 -11.617 0.881 1.00 1.35 H new ATOM 422 N VAL A 28 -6.868 -12.277 4.445 1.00 0.54 N ATOM 423 CA VAL A 28 -6.133 -13.396 5.021 1.00 0.62 C ATOM 424 C VAL A 28 -6.935 -14.036 6.140 1.00 0.72 C ATOM 425 O VAL A 28 -7.095 -15.255 6.187 1.00 0.79 O ATOM 426 CB VAL A 28 -4.767 -12.955 5.573 1.00 0.65 C ATOM 427 CG1 VAL A 28 -3.957 -14.162 6.021 1.00 0.77 C ATOM 428 CG2 VAL A 28 -4.004 -12.144 4.534 1.00 0.62 C ATOM 0 H VAL A 28 -6.402 -11.374 4.530 1.00 0.54 H new ATOM 0 HA VAL A 28 -5.968 -14.118 4.221 1.00 0.62 H new ATOM 0 HB VAL A 28 -4.936 -12.318 6.441 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -2.994 -13.830 6.409 1.00 0.77 H new ATOM 0 HG12 VAL A 28 -4.499 -14.694 6.803 1.00 0.77 H new ATOM 0 HG13 VAL A 28 -3.797 -14.828 5.173 1.00 0.77 H new ATOM 0 HG21 VAL A 28 -3.040 -11.842 4.944 1.00 0.62 H new ATOM 0 HG22 VAL A 28 -3.845 -12.752 3.643 1.00 0.62 H new ATOM 0 HG23 VAL A 28 -4.580 -11.257 4.270 1.00 0.62 H new ATOM 438 N GLN A 29 -7.455 -13.202 7.035 1.00 0.76 N ATOM 439 CA GLN A 29 -8.262 -13.686 8.146 1.00 0.87 C ATOM 440 C GLN A 29 -9.365 -14.594 7.622 1.00 0.87 C ATOM 441 O GLN A 29 -9.753 -15.566 8.271 1.00 0.97 O ATOM 442 CB GLN A 29 -8.865 -12.512 8.923 1.00 0.95 C ATOM 443 CG GLN A 29 -8.101 -12.165 10.191 1.00 1.50 C ATOM 444 CD GLN A 29 -6.803 -11.435 9.907 1.00 1.68 C ATOM 445 OE1 GLN A 29 -6.734 -10.592 9.011 1.00 2.23 O ATOM 446 NE2 GLN A 29 -5.764 -11.755 10.669 1.00 2.15 N ATOM 0 H GLN A 29 -7.331 -12.190 7.012 1.00 0.76 H new ATOM 0 HA GLN A 29 -7.624 -14.253 8.824 1.00 0.87 H new ATOM 0 HB2 GLN A 29 -8.895 -11.636 8.275 1.00 0.95 H new ATOM 0 HB3 GLN A 29 -9.896 -12.751 9.184 1.00 0.95 H new ATOM 0 HG2 GLN A 29 -8.729 -11.546 10.832 1.00 1.50 H new ATOM 0 HG3 GLN A 29 -7.886 -13.080 10.743 1.00 1.50 H new ATOM 0 HE21 GLN A 29 -5.865 -12.459 11.400 1.00 2.15 H new ATOM 0 HE22 GLN A 29 -4.864 -11.297 10.523 1.00 2.15 H new ATOM 455 N GLN A 30 -9.851 -14.274 6.425 1.00 0.83 N ATOM 456 CA GLN A 30 -10.892 -15.065 5.789 1.00 0.93 C ATOM 457 C GLN A 30 -10.363 -16.452 5.447 1.00 0.96 C ATOM 458 O GLN A 30 -11.100 -17.437 5.490 1.00 1.09 O ATOM 459 CB GLN A 30 -11.391 -14.365 4.524 1.00 0.98 C ATOM 460 CG GLN A 30 -12.907 -14.340 4.399 1.00 1.46 C ATOM 461 CD GLN A 30 -13.438 -15.462 3.529 1.00 1.70 C ATOM 462 OE1 GLN A 30 -13.106 -16.630 3.729 1.00 2.18 O ATOM 463 NE2 GLN A 30 -14.268 -15.110 2.554 1.00 2.29 N ATOM 0 H GLN A 30 -9.538 -13.471 5.879 1.00 0.83 H new ATOM 0 HA GLN A 30 -11.726 -15.168 6.484 1.00 0.93 H new ATOM 0 HB2 GLN A 30 -11.017 -13.341 4.514 1.00 0.98 H new ATOM 0 HB3 GLN A 30 -10.971 -14.866 3.652 1.00 0.98 H new ATOM 0 HG2 GLN A 30 -13.351 -14.414 5.392 1.00 1.46 H new ATOM 0 HG3 GLN A 30 -13.218 -13.383 3.981 1.00 1.46 H new ATOM 0 HE21 GLN A 30 -14.516 -14.129 2.425 1.00 2.29 H new ATOM 0 HE22 GLN A 30 -14.658 -15.821 1.934 1.00 2.29 H new ATOM 472 N HIS A 31 -9.075 -16.524 5.118 1.00 0.87 N ATOM 473 CA HIS A 31 -8.447 -17.799 4.781 1.00 0.98 C ATOM 474 C HIS A 31 -7.074 -17.922 5.442 1.00 1.03 C ATOM 475 O HIS A 31 -6.049 -17.616 4.834 1.00 1.06 O ATOM 476 CB HIS A 31 -8.318 -17.960 3.263 1.00 0.99 C ATOM 477 CG HIS A 31 -7.405 -16.961 2.624 1.00 1.40 C ATOM 478 ND1 HIS A 31 -7.636 -15.608 2.662 1.00 1.72 N ATOM 479 CD2 HIS A 31 -6.256 -17.127 1.927 1.00 2.18 C ATOM 480 CE1 HIS A 31 -6.672 -14.981 2.015 1.00 2.19 C ATOM 481 NE2 HIS A 31 -5.818 -15.879 1.561 1.00 2.47 N ATOM 0 H HIS A 31 -8.449 -15.720 5.078 1.00 0.87 H new ATOM 0 HA HIS A 31 -9.087 -18.595 5.161 1.00 0.98 H new ATOM 0 HB2 HIS A 31 -7.954 -18.964 3.043 1.00 0.99 H new ATOM 0 HB3 HIS A 31 -9.307 -17.874 2.813 1.00 0.99 H new ATOM 0 HD1 HIS A 31 -8.429 -15.158 3.119 1.00 1.72 H new ATOM 0 HD2 HIS A 31 -5.774 -18.067 1.701 1.00 2.18 H new ATOM 0 HE1 HIS A 31 -6.595 -13.912 1.880 1.00 2.19 H new ATOM 490 N PRO A 32 -7.037 -18.377 6.707 1.00 1.13 N ATOM 491 CA PRO A 32 -5.784 -18.540 7.450 1.00 1.29 C ATOM 492 C PRO A 32 -4.920 -19.663 6.886 1.00 1.57 C ATOM 493 O PRO A 32 -3.695 -19.644 7.018 1.00 2.23 O ATOM 494 CB PRO A 32 -6.248 -18.881 8.868 1.00 1.44 C ATOM 495 CG PRO A 32 -7.604 -19.472 8.691 1.00 1.39 C ATOM 496 CD PRO A 32 -8.211 -18.766 7.510 1.00 1.19 C ATOM 0 HA PRO A 32 -5.161 -17.647 7.398 1.00 1.29 H new ATOM 0 HB2 PRO A 32 -5.569 -19.585 9.348 1.00 1.44 H new ATOM 0 HB3 PRO A 32 -6.283 -17.992 9.498 1.00 1.44 H new ATOM 0 HG2 PRO A 32 -7.542 -20.546 8.514 1.00 1.39 H new ATOM 0 HG3 PRO A 32 -8.211 -19.331 9.585 1.00 1.39 H new ATOM 0 HD2 PRO A 32 -8.881 -19.419 6.952 1.00 1.19 H new ATOM 0 HD3 PRO A 32 -8.794 -17.898 7.817 1.00 1.19 H new ATOM 504 N ARG A 33 -5.564 -20.641 6.258 1.00 1.74 N ATOM 505 CA ARG A 33 -4.854 -21.772 5.674 1.00 2.03 C ATOM 506 C ARG A 33 -4.033 -21.334 4.465 1.00 3.00 C ATOM 507 O ARG A 33 -4.459 -20.477 3.690 1.00 3.75 O ATOM 508 CB ARG A 33 -5.842 -22.866 5.263 1.00 1.88 C ATOM 509 CG ARG A 33 -6.419 -23.636 6.440 1.00 2.44 C ATOM 510 CD ARG A 33 -7.745 -23.048 6.895 1.00 3.16 C ATOM 511 NE ARG A 33 -8.274 -23.735 8.069 1.00 3.92 N ATOM 512 CZ ARG A 33 -7.817 -23.553 9.306 1.00 4.70 C ATOM 513 NH1 ARG A 33 -6.820 -22.704 9.533 1.00 4.92 N ATOM 514 NH2 ARG A 33 -8.357 -24.218 10.318 1.00 5.58 N ATOM 0 H ARG A 33 -6.577 -20.673 6.141 1.00 1.74 H new ATOM 0 HA ARG A 33 -4.175 -22.170 6.428 1.00 2.03 H new ATOM 0 HB2 ARG A 33 -6.658 -22.414 4.699 1.00 1.88 H new ATOM 0 HB3 ARG A 33 -5.340 -23.564 4.593 1.00 1.88 H new ATOM 0 HG2 ARG A 33 -6.560 -24.680 6.159 1.00 2.44 H new ATOM 0 HG3 ARG A 33 -5.710 -23.622 7.268 1.00 2.44 H new ATOM 0 HD2 ARG A 33 -7.613 -21.990 7.123 1.00 3.16 H new ATOM 0 HD3 ARG A 33 -8.468 -23.111 6.082 1.00 3.16 H new ATOM 0 HE ARG A 33 -9.040 -24.394 7.933 1.00 3.92 H new ATOM 0 HH11 ARG A 33 -6.402 -22.189 8.758 1.00 4.92 H new ATOM 0 HH12 ARG A 33 -6.473 -22.567 10.482 1.00 4.92 H new ATOM 0 HH21 ARG A 33 -9.123 -24.870 10.149 1.00 5.58 H new ATOM 0 HH22 ARG A 33 -8.006 -24.078 11.265 1.00 5.58 H new TER 528 ARG A 33 ATOM 529 N CYS B 1 -15.565 -25.176 -1.349 1.00 5.15 N ATOM 530 CA CYS B 1 -16.418 -23.997 -1.257 1.00 4.44 C ATOM 531 C CYS B 1 -15.727 -22.777 -1.858 1.00 3.68 C ATOM 532 O CYS B 1 -16.159 -22.248 -2.883 1.00 4.02 O ATOM 533 CB CYS B 1 -16.787 -23.721 0.202 1.00 4.47 C ATOM 534 SG CYS B 1 -18.472 -23.107 0.432 1.00 5.51 S ATOM 0 H1 CYS B 1 -16.056 -25.993 -0.934 1.00 5.15 H new ATOM 0 H2 CYS B 1 -15.350 -25.372 -2.348 1.00 5.15 H new ATOM 0 H3 CYS B 1 -14.679 -25.005 -0.831 1.00 5.15 H new ATOM 0 HA CYS B 1 -17.328 -24.193 -1.824 1.00 4.44 H new ATOM 0 HB2 CYS B 1 -16.664 -24.639 0.777 1.00 4.47 H new ATOM 0 HB3 CYS B 1 -16.087 -22.993 0.611 1.00 4.47 H new ATOM 0 HG CYS B 1 -18.691 -22.905 1.697 1.00 5.51 H new ATOM 540 N GLY B 2 -14.652 -22.335 -1.214 1.00 3.11 N ATOM 541 CA GLY B 2 -13.917 -21.181 -1.698 1.00 2.73 C ATOM 542 C GLY B 2 -12.514 -21.534 -2.149 1.00 2.20 C ATOM 543 O GLY B 2 -12.121 -21.231 -3.276 1.00 2.81 O ATOM 0 H GLY B 2 -14.276 -22.756 -0.364 1.00 3.11 H new ATOM 0 HA2 GLY B 2 -14.460 -20.731 -2.529 1.00 2.73 H new ATOM 0 HA3 GLY B 2 -13.864 -20.431 -0.909 1.00 2.73 H new ATOM 547 N GLY B 3 -11.756 -22.179 -1.268 1.00 1.66 N ATOM 548 CA GLY B 3 -10.398 -22.564 -1.600 1.00 1.45 C ATOM 549 C GLY B 3 -9.414 -21.422 -1.438 1.00 1.30 C ATOM 550 O GLY B 3 -9.531 -20.620 -0.511 1.00 1.48 O ATOM 0 H GLY B 3 -12.059 -22.442 -0.330 1.00 1.66 H new ATOM 0 HA2 GLY B 3 -10.093 -23.395 -0.963 1.00 1.45 H new ATOM 0 HA3 GLY B 3 -10.367 -22.923 -2.629 1.00 1.45 H new ATOM 554 N ASP B 4 -8.443 -21.348 -2.342 1.00 1.06 N ATOM 555 CA ASP B 4 -7.434 -20.295 -2.296 1.00 1.10 C ATOM 556 C ASP B 4 -7.841 -19.097 -3.150 1.00 1.01 C ATOM 557 O ASP B 4 -7.025 -18.219 -3.427 1.00 1.22 O ATOM 558 CB ASP B 4 -6.091 -20.830 -2.780 1.00 1.23 C ATOM 559 CG ASP B 4 -5.586 -21.983 -1.935 1.00 1.84 C ATOM 560 OD1 ASP B 4 -5.016 -21.723 -0.855 1.00 2.34 O ATOM 561 OD2 ASP B 4 -5.762 -23.147 -2.354 1.00 2.59 O ATOM 0 H ASP B 4 -8.333 -22.004 -3.115 1.00 1.06 H new ATOM 0 HA ASP B 4 -7.346 -19.967 -1.260 1.00 1.10 H new ATOM 0 HB2 ASP B 4 -6.186 -21.157 -3.815 1.00 1.23 H new ATOM 0 HB3 ASP B 4 -5.357 -20.025 -2.766 1.00 1.23 H new ATOM 566 N ASN B 5 -9.105 -19.062 -3.559 1.00 0.92 N ATOM 567 CA ASN B 5 -9.614 -17.965 -4.373 1.00 1.02 C ATOM 568 C ASN B 5 -9.299 -16.630 -3.709 1.00 0.99 C ATOM 569 O ASN B 5 -9.129 -15.610 -4.377 1.00 1.39 O ATOM 570 CB ASN B 5 -11.124 -18.108 -4.579 1.00 1.19 C ATOM 571 CG ASN B 5 -11.468 -18.716 -5.925 1.00 1.61 C ATOM 572 OD1 ASN B 5 -12.166 -19.727 -6.001 1.00 2.22 O ATOM 573 ND2 ASN B 5 -10.977 -18.102 -6.995 1.00 1.86 N ATOM 0 H ASN B 5 -9.795 -19.780 -3.340 1.00 0.92 H new ATOM 0 HA ASN B 5 -9.126 -17.999 -5.347 1.00 1.02 H new ATOM 0 HB2 ASN B 5 -11.539 -18.730 -3.786 1.00 1.19 H new ATOM 0 HB3 ASN B 5 -11.594 -17.128 -4.495 1.00 1.19 H new ATOM 0 HD21 ASN B 5 -11.174 -18.466 -7.927 1.00 1.86 H new ATOM 0 HD22 ASN B 5 -10.403 -17.266 -6.885 1.00 1.86 H new ATOM 580 N ILE B 6 -9.210 -16.659 -2.385 1.00 0.68 N ATOM 581 CA ILE B 6 -8.899 -15.472 -1.609 1.00 0.63 C ATOM 582 C ILE B 6 -7.402 -15.198 -1.635 1.00 0.56 C ATOM 583 O ILE B 6 -6.967 -14.062 -1.819 1.00 0.53 O ATOM 584 CB ILE B 6 -9.355 -15.633 -0.150 1.00 0.67 C ATOM 585 CG1 ILE B 6 -10.797 -16.139 -0.092 1.00 0.87 C ATOM 586 CG2 ILE B 6 -9.220 -14.317 0.595 1.00 0.85 C ATOM 587 CD1 ILE B 6 -11.198 -16.670 1.267 1.00 1.57 C ATOM 0 H ILE B 6 -9.351 -17.500 -1.826 1.00 0.68 H new ATOM 0 HA ILE B 6 -9.432 -14.634 -2.058 1.00 0.63 H new ATOM 0 HB ILE B 6 -8.714 -16.370 0.334 1.00 0.67 H new ATOM 0 HG12 ILE B 6 -11.470 -15.327 -0.369 1.00 0.87 H new ATOM 0 HG13 ILE B 6 -10.927 -16.927 -0.834 1.00 0.87 H new ATOM 0 HG21 ILE B 6 -9.547 -14.448 1.627 1.00 0.85 H new ATOM 0 HG22 ILE B 6 -8.178 -13.997 0.582 1.00 0.85 H new ATOM 0 HG23 ILE B 6 -9.838 -13.560 0.112 1.00 0.85 H new ATOM 0 HD11 ILE B 6 -12.233 -17.011 1.233 1.00 1.57 H new ATOM 0 HD12 ILE B 6 -10.550 -17.503 1.538 1.00 1.57 H new ATOM 0 HD13 ILE B 6 -11.101 -15.878 2.010 1.00 1.57 H new ATOM 599 N GLU B 7 -6.621 -16.258 -1.455 1.00 0.60 N ATOM 600 CA GLU B 7 -5.165 -16.156 -1.462 1.00 0.59 C ATOM 601 C GLU B 7 -4.673 -15.529 -2.761 1.00 0.57 C ATOM 602 O GLU B 7 -3.657 -14.834 -2.782 1.00 0.53 O ATOM 603 CB GLU B 7 -4.535 -17.538 -1.277 1.00 0.75 C ATOM 604 CG GLU B 7 -3.288 -17.526 -0.408 1.00 0.78 C ATOM 605 CD GLU B 7 -2.220 -18.478 -0.909 1.00 1.29 C ATOM 606 OE1 GLU B 7 -1.677 -18.235 -2.008 1.00 1.93 O ATOM 607 OE2 GLU B 7 -1.925 -19.465 -0.203 1.00 1.94 O ATOM 0 H GLU B 7 -6.974 -17.203 -1.302 1.00 0.60 H new ATOM 0 HA GLU B 7 -4.865 -15.515 -0.633 1.00 0.59 H new ATOM 0 HB2 GLU B 7 -5.271 -18.207 -0.832 1.00 0.75 H new ATOM 0 HB3 GLU B 7 -4.282 -17.947 -2.255 1.00 0.75 H new ATOM 0 HG2 GLU B 7 -2.882 -16.515 -0.375 1.00 0.78 H new ATOM 0 HG3 GLU B 7 -3.559 -17.794 0.613 1.00 0.78 H new ATOM 614 N GLN B 8 -5.404 -15.774 -3.841 1.00 0.64 N ATOM 615 CA GLN B 8 -5.046 -15.226 -5.142 1.00 0.69 C ATOM 616 C GLN B 8 -5.434 -13.754 -5.220 1.00 0.63 C ATOM 617 O GLN B 8 -4.693 -12.929 -5.756 1.00 0.67 O ATOM 618 CB GLN B 8 -5.740 -16.009 -6.257 1.00 0.82 C ATOM 619 CG GLN B 8 -4.892 -16.165 -7.509 1.00 1.18 C ATOM 620 CD GLN B 8 -4.053 -17.427 -7.491 1.00 1.54 C ATOM 621 OE1 GLN B 8 -4.578 -18.533 -7.371 1.00 2.16 O ATOM 622 NE2 GLN B 8 -2.740 -17.267 -7.612 1.00 2.22 N ATOM 0 H GLN B 8 -6.247 -16.348 -3.841 1.00 0.64 H new ATOM 0 HA GLN B 8 -3.967 -15.313 -5.270 1.00 0.69 H new ATOM 0 HB2 GLN B 8 -6.007 -16.998 -5.884 1.00 0.82 H new ATOM 0 HB3 GLN B 8 -6.670 -15.505 -6.519 1.00 0.82 H new ATOM 0 HG2 GLN B 8 -5.542 -16.177 -8.384 1.00 1.18 H new ATOM 0 HG3 GLN B 8 -4.237 -15.299 -7.610 1.00 1.18 H new ATOM 0 HE21 GLN B 8 -2.347 -16.331 -7.709 1.00 2.22 H new ATOM 0 HE22 GLN B 8 -2.125 -18.080 -7.608 1.00 2.22 H new ATOM 631 N LYS B 9 -6.601 -13.435 -4.672 1.00 0.57 N ATOM 632 CA LYS B 9 -7.095 -12.067 -4.668 1.00 0.58 C ATOM 633 C LYS B 9 -6.175 -11.161 -3.860 1.00 0.50 C ATOM 634 O LYS B 9 -5.964 -10.000 -4.213 1.00 0.59 O ATOM 635 CB LYS B 9 -8.514 -12.015 -4.096 1.00 0.64 C ATOM 636 CG LYS B 9 -9.364 -10.898 -4.678 1.00 1.01 C ATOM 637 CD LYS B 9 -10.324 -10.333 -3.644 1.00 1.26 C ATOM 638 CE LYS B 9 -11.693 -10.987 -3.740 1.00 1.86 C ATOM 639 NZ LYS B 9 -12.793 -10.013 -3.495 1.00 2.37 N ATOM 0 H LYS B 9 -7.223 -14.108 -4.224 1.00 0.57 H new ATOM 0 HA LYS B 9 -7.114 -11.711 -5.698 1.00 0.58 H new ATOM 0 HB2 LYS B 9 -9.007 -12.969 -4.281 1.00 0.64 H new ATOM 0 HB3 LYS B 9 -8.457 -11.891 -3.015 1.00 0.64 H new ATOM 0 HG2 LYS B 9 -8.717 -10.103 -5.049 1.00 1.01 H new ATOM 0 HG3 LYS B 9 -9.927 -11.275 -5.532 1.00 1.01 H new ATOM 0 HD2 LYS B 9 -9.916 -10.486 -2.645 1.00 1.26 H new ATOM 0 HD3 LYS B 9 -10.423 -9.257 -3.787 1.00 1.26 H new ATOM 0 HE2 LYS B 9 -11.815 -11.431 -4.728 1.00 1.86 H new ATOM 0 HE3 LYS B 9 -11.759 -11.799 -3.016 1.00 1.86 H new ATOM 0 HZ1 LYS B 9 -13.710 -10.499 -3.570 1.00 2.37 H new ATOM 0 HZ2 LYS B 9 -12.692 -9.608 -2.542 1.00 2.37 H new ATOM 0 HZ3 LYS B 9 -12.746 -9.251 -4.202 1.00 2.37 H new ATOM 653 N ILE B 10 -5.625 -11.697 -2.775 1.00 0.41 N ATOM 654 CA ILE B 10 -4.727 -10.928 -1.926 1.00 0.38 C ATOM 655 C ILE B 10 -3.382 -10.705 -2.603 1.00 0.36 C ATOM 656 O ILE B 10 -2.842 -9.601 -2.572 1.00 0.37 O ATOM 657 CB ILE B 10 -4.485 -11.601 -0.564 1.00 0.42 C ATOM 658 CG1 ILE B 10 -4.074 -13.064 -0.733 1.00 0.41 C ATOM 659 CG2 ILE B 10 -5.723 -11.490 0.312 1.00 0.54 C ATOM 660 CD1 ILE B 10 -3.614 -13.710 0.556 1.00 1.11 C ATOM 0 H ILE B 10 -5.785 -12.656 -2.466 1.00 0.41 H new ATOM 0 HA ILE B 10 -5.222 -9.971 -1.759 1.00 0.38 H new ATOM 0 HB ILE B 10 -3.664 -11.079 -0.073 1.00 0.42 H new ATOM 0 HG12 ILE B 10 -4.917 -13.627 -1.133 1.00 0.41 H new ATOM 0 HG13 ILE B 10 -3.272 -13.126 -1.469 1.00 0.41 H new ATOM 0 HG21 ILE B 10 -5.534 -11.971 1.272 1.00 0.54 H new ATOM 0 HG22 ILE B 10 -5.961 -10.439 0.474 1.00 0.54 H new ATOM 0 HG23 ILE B 10 -6.563 -11.980 -0.181 1.00 0.54 H new ATOM 0 HD11 ILE B 10 -3.337 -14.747 0.365 1.00 1.11 H new ATOM 0 HD12 ILE B 10 -2.751 -13.170 0.946 1.00 1.11 H new ATOM 0 HD13 ILE B 10 -4.422 -13.679 1.287 1.00 1.11 H new ATOM 672 N ASP B 11 -2.845 -11.752 -3.224 1.00 0.39 N ATOM 673 CA ASP B 11 -1.564 -11.649 -3.913 1.00 0.47 C ATOM 674 C ASP B 11 -1.577 -10.452 -4.852 1.00 0.48 C ATOM 675 O ASP B 11 -0.567 -9.767 -5.035 1.00 0.52 O ATOM 676 CB ASP B 11 -1.273 -12.930 -4.696 1.00 0.58 C ATOM 677 CG ASP B 11 -0.535 -13.961 -3.865 1.00 0.84 C ATOM 678 OD1 ASP B 11 0.325 -13.563 -3.052 1.00 1.45 O ATOM 679 OD2 ASP B 11 -0.817 -15.168 -4.027 1.00 1.51 O ATOM 0 H ASP B 11 -3.275 -12.676 -3.264 1.00 0.39 H new ATOM 0 HA ASP B 11 -0.777 -11.512 -3.171 1.00 0.47 H new ATOM 0 HB2 ASP B 11 -2.211 -13.357 -5.050 1.00 0.58 H new ATOM 0 HB3 ASP B 11 -0.681 -12.687 -5.578 1.00 0.58 H new ATOM 684 N ASP B 12 -2.746 -10.192 -5.423 1.00 0.48 N ATOM 685 CA ASP B 12 -2.915 -9.063 -6.324 1.00 0.53 C ATOM 686 C ASP B 12 -2.757 -7.769 -5.544 1.00 0.49 C ATOM 687 O ASP B 12 -2.027 -6.863 -5.950 1.00 0.54 O ATOM 688 CB ASP B 12 -4.289 -9.114 -6.998 1.00 0.60 C ATOM 689 CG ASP B 12 -4.202 -9.506 -8.459 1.00 0.75 C ATOM 690 OD1 ASP B 12 -3.796 -10.651 -8.744 1.00 1.44 O ATOM 691 OD2 ASP B 12 -4.540 -8.666 -9.321 1.00 1.32 O ATOM 0 H ASP B 12 -3.589 -10.747 -5.278 1.00 0.48 H new ATOM 0 HA ASP B 12 -2.154 -9.110 -7.103 1.00 0.53 H new ATOM 0 HB2 ASP B 12 -4.923 -9.827 -6.471 1.00 0.60 H new ATOM 0 HB3 ASP B 12 -4.768 -8.138 -6.914 1.00 0.60 H new ATOM 696 N ILE B 13 -3.431 -7.705 -4.403 1.00 0.43 N ATOM 697 CA ILE B 13 -3.357 -6.540 -3.542 1.00 0.44 C ATOM 698 C ILE B 13 -1.922 -6.309 -3.088 1.00 0.42 C ATOM 699 O ILE B 13 -1.424 -5.190 -3.133 1.00 0.45 O ATOM 700 CB ILE B 13 -4.264 -6.693 -2.307 1.00 0.43 C ATOM 701 CG1 ILE B 13 -5.685 -7.063 -2.735 1.00 0.46 C ATOM 702 CG2 ILE B 13 -4.265 -5.411 -1.482 1.00 0.55 C ATOM 703 CD1 ILE B 13 -6.674 -7.116 -1.590 1.00 0.50 C ATOM 0 H ILE B 13 -4.035 -8.450 -4.055 1.00 0.43 H new ATOM 0 HA ILE B 13 -3.702 -5.683 -4.120 1.00 0.44 H new ATOM 0 HB ILE B 13 -3.872 -7.497 -1.684 1.00 0.43 H new ATOM 0 HG12 ILE B 13 -6.033 -6.338 -3.470 1.00 0.46 H new ATOM 0 HG13 ILE B 13 -5.664 -8.034 -3.230 1.00 0.46 H new ATOM 0 HG21 ILE B 13 -4.911 -5.538 -0.613 1.00 0.55 H new ATOM 0 HG22 ILE B 13 -3.250 -5.191 -1.150 1.00 0.55 H new ATOM 0 HG23 ILE B 13 -4.634 -4.586 -2.092 1.00 0.55 H new ATOM 0 HD11 ILE B 13 -7.659 -7.385 -1.972 1.00 0.50 H new ATOM 0 HD12 ILE B 13 -6.351 -7.862 -0.864 1.00 0.50 H new ATOM 0 HD13 ILE B 13 -6.726 -6.140 -1.108 1.00 0.50 H new ATOM 715 N ASP B 14 -1.259 -7.382 -2.660 1.00 0.40 N ATOM 716 CA ASP B 14 0.126 -7.301 -2.202 1.00 0.43 C ATOM 717 C ASP B 14 0.984 -6.524 -3.194 1.00 0.46 C ATOM 718 O ASP B 14 1.911 -5.812 -2.806 1.00 0.48 O ATOM 719 CB ASP B 14 0.703 -8.704 -2.005 1.00 0.44 C ATOM 720 CG ASP B 14 1.671 -8.771 -0.840 1.00 0.51 C ATOM 721 OD1 ASP B 14 1.613 -7.880 0.033 1.00 1.13 O ATOM 722 OD2 ASP B 14 2.488 -9.716 -0.801 1.00 1.32 O ATOM 0 H ASP B 14 -1.660 -8.319 -2.621 1.00 0.40 H new ATOM 0 HA ASP B 14 0.135 -6.773 -1.249 1.00 0.43 H new ATOM 0 HB2 ASP B 14 -0.111 -9.409 -1.838 1.00 0.44 H new ATOM 0 HB3 ASP B 14 1.213 -9.016 -2.916 1.00 0.44 H new ATOM 727 N HIS B 15 0.664 -6.660 -4.476 1.00 0.47 N ATOM 728 CA HIS B 15 1.399 -5.964 -5.520 1.00 0.52 C ATOM 729 C HIS B 15 1.027 -4.488 -5.537 1.00 0.53 C ATOM 730 O HIS B 15 1.829 -3.635 -5.919 1.00 0.56 O ATOM 731 CB HIS B 15 1.105 -6.591 -6.882 1.00 0.56 C ATOM 732 CG HIS B 15 2.194 -6.381 -7.887 1.00 0.76 C ATOM 733 ND1 HIS B 15 3.339 -5.660 -7.617 1.00 0.92 N ATOM 734 CD2 HIS B 15 2.312 -6.803 -9.168 1.00 1.01 C ATOM 735 CE1 HIS B 15 4.112 -5.647 -8.688 1.00 1.12 C ATOM 736 NE2 HIS B 15 3.512 -6.334 -9.643 1.00 1.19 N ATOM 0 H HIS B 15 -0.099 -7.246 -4.815 1.00 0.47 H new ATOM 0 HA HIS B 15 2.465 -6.055 -5.311 1.00 0.52 H new ATOM 0 HB2 HIS B 15 0.943 -7.661 -6.752 1.00 0.56 H new ATOM 0 HB3 HIS B 15 0.177 -6.173 -7.272 1.00 0.56 H new ATOM 0 HD2 HIS B 15 1.595 -7.398 -9.715 1.00 1.01 H new ATOM 0 HE1 HIS B 15 5.071 -5.158 -8.769 1.00 1.12 H new ATOM 0 HE2 HIS B 15 3.880 -6.491 -10.581 1.00 1.19 H new ATOM 745 N GLU B 16 -0.200 -4.195 -5.121 1.00 0.52 N ATOM 746 CA GLU B 16 -0.685 -2.824 -5.091 1.00 0.56 C ATOM 747 C GLU B 16 -0.271 -2.125 -3.799 1.00 0.57 C ATOM 748 O GLU B 16 -0.015 -0.923 -3.789 1.00 0.64 O ATOM 749 CB GLU B 16 -2.208 -2.796 -5.234 1.00 0.58 C ATOM 750 CG GLU B 16 -2.737 -3.764 -6.281 1.00 0.59 C ATOM 751 CD GLU B 16 -4.226 -4.014 -6.145 1.00 1.29 C ATOM 752 OE1 GLU B 16 -4.982 -3.030 -5.997 1.00 1.99 O ATOM 753 OE2 GLU B 16 -4.636 -5.193 -6.185 1.00 2.03 O ATOM 0 H GLU B 16 -0.875 -4.889 -4.801 1.00 0.52 H new ATOM 0 HA GLU B 16 -0.238 -2.290 -5.930 1.00 0.56 H new ATOM 0 HB2 GLU B 16 -2.660 -3.033 -4.271 1.00 0.58 H new ATOM 0 HB3 GLU B 16 -2.522 -1.785 -5.494 1.00 0.58 H new ATOM 0 HG2 GLU B 16 -2.528 -3.368 -7.275 1.00 0.59 H new ATOM 0 HG3 GLU B 16 -2.204 -4.711 -6.197 1.00 0.59 H new ATOM 760 N ILE B 17 -0.202 -2.890 -2.716 1.00 0.53 N ATOM 761 CA ILE B 17 0.183 -2.352 -1.418 1.00 0.57 C ATOM 762 C ILE B 17 1.627 -1.867 -1.442 1.00 0.57 C ATOM 763 O ILE B 17 1.986 -0.908 -0.759 1.00 0.61 O ATOM 764 CB ILE B 17 0.031 -3.410 -0.306 1.00 0.58 C ATOM 765 CG1 ILE B 17 -1.353 -4.054 -0.371 1.00 0.58 C ATOM 766 CG2 ILE B 17 0.263 -2.783 1.060 1.00 0.66 C ATOM 767 CD1 ILE B 17 -1.388 -5.467 0.164 1.00 1.06 C ATOM 0 H ILE B 17 -0.409 -3.889 -2.712 1.00 0.53 H new ATOM 0 HA ILE B 17 -0.482 -1.514 -1.207 1.00 0.57 H new ATOM 0 HB ILE B 17 0.781 -4.185 -0.460 1.00 0.58 H new ATOM 0 HG12 ILE B 17 -2.056 -3.443 0.195 1.00 0.58 H new ATOM 0 HG13 ILE B 17 -1.695 -4.058 -1.406 1.00 0.58 H new ATOM 0 HG21 ILE B 17 0.152 -3.543 1.833 1.00 0.66 H new ATOM 0 HG22 ILE B 17 1.269 -2.366 1.103 1.00 0.66 H new ATOM 0 HG23 ILE B 17 -0.466 -1.989 1.225 1.00 0.66 H new ATOM 0 HD11 ILE B 17 -2.402 -5.860 0.086 1.00 1.06 H new ATOM 0 HD12 ILE B 17 -0.710 -6.093 -0.417 1.00 1.06 H new ATOM 0 HD13 ILE B 17 -1.077 -5.468 1.209 1.00 1.06 H new ATOM 779 N ALA B 18 2.450 -2.545 -2.235 1.00 0.53 N ATOM 780 CA ALA B 18 3.860 -2.198 -2.356 1.00 0.55 C ATOM 781 C ALA B 18 4.060 -1.010 -3.291 1.00 0.55 C ATOM 782 O ALA B 18 4.905 -0.150 -3.045 1.00 0.57 O ATOM 783 CB ALA B 18 4.654 -3.399 -2.848 1.00 0.58 C ATOM 0 H ALA B 18 2.163 -3.341 -2.805 1.00 0.53 H new ATOM 0 HA ALA B 18 4.224 -1.911 -1.369 1.00 0.55 H new ATOM 0 HB1 ALA B 18 5.706 -3.129 -2.935 1.00 0.58 H new ATOM 0 HB2 ALA B 18 4.548 -4.220 -2.139 1.00 0.58 H new ATOM 0 HB3 ALA B 18 4.278 -3.710 -3.823 1.00 0.58 H new ATOM 789 N ASP B 19 3.277 -0.968 -4.366 1.00 0.55 N ATOM 790 CA ASP B 19 3.374 0.116 -5.339 1.00 0.57 C ATOM 791 C ASP B 19 3.227 1.475 -4.659 1.00 0.55 C ATOM 792 O ASP B 19 3.978 2.409 -4.948 1.00 0.57 O ATOM 793 CB ASP B 19 2.303 -0.044 -6.419 1.00 0.61 C ATOM 794 CG ASP B 19 2.787 -0.868 -7.595 1.00 0.93 C ATOM 795 OD1 ASP B 19 3.345 -1.962 -7.364 1.00 1.57 O ATOM 796 OD2 ASP B 19 2.607 -0.422 -8.748 1.00 1.58 O ATOM 0 H ASP B 19 2.570 -1.670 -4.585 1.00 0.55 H new ATOM 0 HA ASP B 19 4.359 0.067 -5.802 1.00 0.57 H new ATOM 0 HB2 ASP B 19 1.422 -0.517 -5.986 1.00 0.61 H new ATOM 0 HB3 ASP B 19 1.996 0.941 -6.771 1.00 0.61 H new ATOM 801 N LEU B 20 2.257 1.580 -3.758 1.00 0.52 N ATOM 802 CA LEU B 20 2.015 2.825 -3.039 1.00 0.52 C ATOM 803 C LEU B 20 3.161 3.143 -2.086 1.00 0.50 C ATOM 804 O LEU B 20 3.731 4.233 -2.128 1.00 0.50 O ATOM 805 CB LEU B 20 0.700 2.745 -2.262 1.00 0.57 C ATOM 806 CG LEU B 20 -0.479 2.145 -3.029 1.00 0.58 C ATOM 807 CD1 LEU B 20 -1.774 2.354 -2.260 1.00 0.63 C ATOM 808 CD2 LEU B 20 -0.582 2.751 -4.422 1.00 0.62 C ATOM 0 H LEU B 20 1.626 0.819 -3.508 1.00 0.52 H new ATOM 0 HA LEU B 20 1.948 3.627 -3.775 1.00 0.52 H new ATOM 0 HB2 LEU B 20 0.865 2.153 -1.362 1.00 0.57 H new ATOM 0 HB3 LEU B 20 0.427 3.749 -1.938 1.00 0.57 H new ATOM 0 HG LEU B 20 -0.308 1.074 -3.136 1.00 0.58 H new ATOM 0 HD11 LEU B 20 -2.603 1.921 -2.820 1.00 0.63 H new ATOM 0 HD12 LEU B 20 -1.701 1.870 -1.286 1.00 0.63 H new ATOM 0 HD13 LEU B 20 -1.947 3.421 -2.122 1.00 0.63 H new ATOM 0 HD21 LEU B 20 -1.428 2.309 -4.949 1.00 0.62 H new ATOM 0 HD22 LEU B 20 -0.728 3.828 -4.340 1.00 0.62 H new ATOM 0 HD23 LEU B 20 0.336 2.550 -4.975 1.00 0.62 H new ATOM 820 N GLN B 21 3.489 2.186 -1.223 1.00 0.51 N ATOM 821 CA GLN B 21 4.564 2.366 -0.250 1.00 0.52 C ATOM 822 C GLN B 21 5.851 2.833 -0.924 1.00 0.51 C ATOM 823 O GLN B 21 6.622 3.600 -0.347 1.00 0.51 O ATOM 824 CB GLN B 21 4.817 1.061 0.507 1.00 0.56 C ATOM 825 CG GLN B 21 5.420 1.266 1.887 1.00 0.88 C ATOM 826 CD GLN B 21 6.192 0.054 2.371 1.00 1.31 C ATOM 827 OE1 GLN B 21 7.352 0.159 2.767 1.00 1.98 O ATOM 828 NE2 GLN B 21 5.547 -1.107 2.342 1.00 1.93 N ATOM 0 H GLN B 21 3.027 1.278 -1.177 1.00 0.51 H new ATOM 0 HA GLN B 21 4.250 3.136 0.454 1.00 0.52 H new ATOM 0 HB2 GLN B 21 3.876 0.521 0.607 1.00 0.56 H new ATOM 0 HB3 GLN B 21 5.484 0.432 -0.082 1.00 0.56 H new ATOM 0 HG2 GLN B 21 6.084 2.130 1.865 1.00 0.88 H new ATOM 0 HG3 GLN B 21 4.625 1.493 2.597 1.00 0.88 H new ATOM 0 HE21 GLN B 21 4.585 -1.148 2.006 1.00 1.93 H new ATOM 0 HE22 GLN B 21 6.014 -1.958 2.656 1.00 1.93 H new ATOM 837 N ALA B 22 6.079 2.365 -2.146 1.00 0.52 N ATOM 838 CA ALA B 22 7.273 2.736 -2.896 1.00 0.55 C ATOM 839 C ALA B 22 7.187 4.176 -3.392 1.00 0.54 C ATOM 840 O ALA B 22 8.205 4.848 -3.556 1.00 0.62 O ATOM 841 CB ALA B 22 7.477 1.785 -4.065 1.00 0.60 C ATOM 0 H ALA B 22 5.453 1.728 -2.638 1.00 0.52 H new ATOM 0 HA ALA B 22 8.130 2.662 -2.226 1.00 0.55 H new ATOM 0 HB1 ALA B 22 8.372 2.073 -4.617 1.00 0.60 H new ATOM 0 HB2 ALA B 22 7.593 0.768 -3.691 1.00 0.60 H new ATOM 0 HB3 ALA B 22 6.612 1.831 -4.727 1.00 0.60 H new ATOM 847 N LYS B 23 5.966 4.642 -3.633 1.00 0.54 N ATOM 848 CA LYS B 23 5.748 6.001 -4.115 1.00 0.55 C ATOM 849 C LYS B 23 5.986 7.025 -3.007 1.00 0.49 C ATOM 850 O LYS B 23 6.473 8.126 -3.262 1.00 0.55 O ATOM 851 CB LYS B 23 4.326 6.146 -4.662 1.00 0.59 C ATOM 852 CG LYS B 23 4.242 6.024 -6.175 1.00 0.69 C ATOM 853 CD LYS B 23 4.772 4.683 -6.659 1.00 0.76 C ATOM 854 CE LYS B 23 3.688 3.871 -7.351 1.00 0.96 C ATOM 855 NZ LYS B 23 4.247 2.680 -8.050 1.00 1.43 N ATOM 0 H LYS B 23 5.113 4.099 -3.502 1.00 0.54 H new ATOM 0 HA LYS B 23 6.463 6.192 -4.915 1.00 0.55 H new ATOM 0 HB2 LYS B 23 3.692 5.385 -4.208 1.00 0.59 H new ATOM 0 HB3 LYS B 23 3.927 7.114 -4.361 1.00 0.59 H new ATOM 0 HG2 LYS B 23 3.206 6.143 -6.493 1.00 0.69 H new ATOM 0 HG3 LYS B 23 4.812 6.830 -6.638 1.00 0.69 H new ATOM 0 HD2 LYS B 23 5.601 4.846 -7.347 1.00 0.76 H new ATOM 0 HD3 LYS B 23 5.166 4.120 -5.813 1.00 0.76 H new ATOM 0 HE2 LYS B 23 2.951 3.548 -6.616 1.00 0.96 H new ATOM 0 HE3 LYS B 23 3.165 4.502 -8.070 1.00 0.96 H new ATOM 0 HZ1 LYS B 23 3.476 2.153 -8.509 1.00 1.43 H new ATOM 0 HZ2 LYS B 23 4.931 2.989 -8.770 1.00 1.43 H new ATOM 0 HZ3 LYS B 23 4.724 2.065 -7.360 1.00 1.43 H new ATOM 869 N ARG B 24 5.634 6.659 -1.780 1.00 0.45 N ATOM 870 CA ARG B 24 5.805 7.552 -0.638 1.00 0.47 C ATOM 871 C ARG B 24 7.282 7.771 -0.321 1.00 0.52 C ATOM 872 O ARG B 24 7.721 8.903 -0.119 1.00 0.60 O ATOM 873 CB ARG B 24 5.090 6.984 0.589 1.00 0.55 C ATOM 874 CG ARG B 24 3.827 7.742 0.959 1.00 1.05 C ATOM 875 CD ARG B 24 3.531 7.645 2.447 1.00 1.09 C ATOM 876 NE ARG B 24 3.423 8.962 3.072 1.00 1.29 N ATOM 877 CZ ARG B 24 3.739 9.214 4.342 1.00 1.81 C ATOM 878 NH1 ARG B 24 4.177 8.242 5.134 1.00 2.28 N ATOM 879 NH2 ARG B 24 3.611 10.443 4.824 1.00 2.12 N ATOM 0 H ARG B 24 5.229 5.752 -1.550 1.00 0.45 H new ATOM 0 HA ARG B 24 5.366 8.515 -0.899 1.00 0.47 H new ATOM 0 HB2 ARG B 24 4.836 5.941 0.401 1.00 0.55 H new ATOM 0 HB3 ARG B 24 5.774 6.998 1.437 1.00 0.55 H new ATOM 0 HG2 ARG B 24 3.935 8.789 0.677 1.00 1.05 H new ATOM 0 HG3 ARG B 24 2.984 7.344 0.393 1.00 1.05 H new ATOM 0 HD2 ARG B 24 2.601 7.096 2.596 1.00 1.09 H new ATOM 0 HD3 ARG B 24 4.320 7.075 2.937 1.00 1.09 H new ATOM 0 HE ARG B 24 3.085 9.736 2.501 1.00 1.29 H new ATOM 0 HH11 ARG B 24 4.274 7.293 4.772 1.00 2.28 H new ATOM 0 HH12 ARG B 24 4.417 8.444 6.105 1.00 2.28 H new ATOM 0 HH21 ARG B 24 3.271 11.194 4.223 1.00 2.12 H new ATOM 0 HH22 ARG B 24 3.852 10.637 5.796 1.00 2.12 H new ATOM 893 N THR B 25 8.041 6.682 -0.270 1.00 0.52 N ATOM 894 CA THR B 25 9.465 6.755 0.035 1.00 0.60 C ATOM 895 C THR B 25 10.207 7.603 -0.990 1.00 0.61 C ATOM 896 O THR B 25 10.904 8.554 -0.636 1.00 0.67 O ATOM 897 CB THR B 25 10.071 5.356 0.072 1.00 0.64 C ATOM 898 OG1 THR B 25 9.072 4.378 0.299 1.00 0.70 O ATOM 899 CG2 THR B 25 11.130 5.189 1.140 1.00 0.75 C ATOM 0 H THR B 25 7.694 5.737 -0.436 1.00 0.52 H new ATOM 0 HA THR B 25 9.570 7.224 1.014 1.00 0.60 H new ATOM 0 HB THR B 25 10.538 5.221 -0.904 1.00 0.64 H new ATOM 0 HG1 THR B 25 9.483 3.489 0.317 1.00 0.70 H new ATOM 0 HG21 THR B 25 11.519 4.171 1.111 1.00 0.75 H new ATOM 0 HG22 THR B 25 11.942 5.893 0.960 1.00 0.75 H new ATOM 0 HG23 THR B 25 10.693 5.382 2.119 1.00 0.75 H new ATOM 907 N ARG B 26 10.055 7.251 -2.262 1.00 0.61 N ATOM 908 CA ARG B 26 10.716 7.980 -3.339 1.00 0.68 C ATOM 909 C ARG B 26 10.465 9.475 -3.199 1.00 0.64 C ATOM 910 O ARG B 26 11.381 10.290 -3.338 1.00 0.71 O ATOM 911 CB ARG B 26 10.227 7.485 -4.701 1.00 0.72 C ATOM 912 CG ARG B 26 8.729 7.635 -4.903 1.00 0.67 C ATOM 913 CD ARG B 26 8.302 7.147 -6.278 1.00 1.10 C ATOM 914 NE ARG B 26 8.980 7.873 -7.351 1.00 1.56 N ATOM 915 CZ ARG B 26 8.588 9.058 -7.811 1.00 2.14 C ATOM 916 NH1 ARG B 26 7.523 9.660 -7.294 1.00 2.60 N ATOM 917 NH2 ARG B 26 9.262 9.646 -8.790 1.00 2.89 N ATOM 0 H ARG B 26 9.481 6.467 -2.572 1.00 0.61 H new ATOM 0 HA ARG B 26 11.789 7.799 -3.270 1.00 0.68 H new ATOM 0 HB2 ARG B 26 10.747 8.034 -5.486 1.00 0.72 H new ATOM 0 HB3 ARG B 26 10.497 6.435 -4.814 1.00 0.72 H new ATOM 0 HG2 ARG B 26 8.199 7.072 -4.135 1.00 0.67 H new ATOM 0 HG3 ARG B 26 8.447 8.681 -4.783 1.00 0.67 H new ATOM 0 HD2 ARG B 26 8.517 6.082 -6.368 1.00 1.10 H new ATOM 0 HD3 ARG B 26 7.224 7.264 -6.386 1.00 1.10 H new ATOM 0 HE ARG B 26 9.804 7.445 -7.773 1.00 1.56 H new ATOM 0 HH11 ARG B 26 7.001 9.214 -6.540 1.00 2.60 H new ATOM 0 HH12 ARG B 26 7.227 10.569 -7.651 1.00 2.60 H new ATOM 0 HH21 ARG B 26 10.081 9.190 -9.191 1.00 2.89 H new ATOM 0 HH22 ARG B 26 8.961 10.555 -9.142 1.00 2.89 H new ATOM 931 N LEU B 27 9.221 9.829 -2.906 1.00 0.57 N ATOM 932 CA LEU B 27 8.854 11.224 -2.730 1.00 0.55 C ATOM 933 C LEU B 27 9.592 11.811 -1.533 1.00 0.56 C ATOM 934 O LEU B 27 10.031 12.961 -1.566 1.00 0.61 O ATOM 935 CB LEU B 27 7.342 11.365 -2.540 1.00 0.51 C ATOM 936 CG LEU B 27 6.567 11.760 -3.800 1.00 0.60 C ATOM 937 CD1 LEU B 27 6.030 10.524 -4.505 1.00 1.38 C ATOM 938 CD2 LEU B 27 5.433 12.713 -3.454 1.00 1.34 C ATOM 0 H LEU B 27 8.452 9.170 -2.786 1.00 0.57 H new ATOM 0 HA LEU B 27 9.140 11.773 -3.627 1.00 0.55 H new ATOM 0 HB2 LEU B 27 6.947 10.419 -2.170 1.00 0.51 H new ATOM 0 HB3 LEU B 27 7.156 12.111 -1.768 1.00 0.51 H new ATOM 0 HG LEU B 27 7.250 12.272 -4.477 1.00 0.60 H new ATOM 0 HD11 LEU B 27 5.482 10.824 -5.398 1.00 1.38 H new ATOM 0 HD12 LEU B 27 6.860 9.877 -4.789 1.00 1.38 H new ATOM 0 HD13 LEU B 27 5.362 9.984 -3.834 1.00 1.38 H new ATOM 0 HD21 LEU B 27 4.894 12.982 -4.362 1.00 1.34 H new ATOM 0 HD22 LEU B 27 4.750 12.228 -2.757 1.00 1.34 H new ATOM 0 HD23 LEU B 27 5.842 13.613 -2.994 1.00 1.34 H new ATOM 950 N VAL B 28 9.741 11.009 -0.480 1.00 0.57 N ATOM 951 CA VAL B 28 10.443 11.458 0.715 1.00 0.63 C ATOM 952 C VAL B 28 11.891 11.777 0.387 1.00 0.73 C ATOM 953 O VAL B 28 12.412 12.824 0.773 1.00 0.79 O ATOM 954 CB VAL B 28 10.405 10.403 1.834 1.00 0.66 C ATOM 955 CG1 VAL B 28 11.009 10.960 3.114 1.00 0.77 C ATOM 956 CG2 VAL B 28 8.981 9.918 2.070 1.00 0.63 C ATOM 0 H VAL B 28 9.387 10.053 -0.432 1.00 0.57 H new ATOM 0 HA VAL B 28 9.932 12.354 1.068 1.00 0.63 H new ATOM 0 HB VAL B 28 11.004 9.548 1.520 1.00 0.66 H new ATOM 0 HG11 VAL B 28 10.973 10.200 3.894 1.00 0.77 H new ATOM 0 HG12 VAL B 28 12.045 11.246 2.933 1.00 0.77 H new ATOM 0 HG13 VAL B 28 10.442 11.834 3.433 1.00 0.77 H new ATOM 0 HG21 VAL B 28 8.978 9.173 2.865 1.00 0.63 H new ATOM 0 HG22 VAL B 28 8.353 10.760 2.360 1.00 0.63 H new ATOM 0 HG23 VAL B 28 8.592 9.473 1.154 1.00 0.63 H new ATOM 966 N GLN B 29 12.533 10.874 -0.348 1.00 0.80 N ATOM 967 CA GLN B 29 13.920 11.067 -0.750 1.00 0.92 C ATOM 968 C GLN B 29 14.081 12.432 -1.409 1.00 0.94 C ATOM 969 O GLN B 29 15.138 13.055 -1.330 1.00 1.02 O ATOM 970 CB GLN B 29 14.358 9.961 -1.711 1.00 1.05 C ATOM 971 CG GLN B 29 14.387 8.580 -1.075 1.00 1.34 C ATOM 972 CD GLN B 29 15.774 8.179 -0.616 1.00 1.63 C ATOM 973 OE1 GLN B 29 16.456 7.393 -1.273 1.00 2.33 O ATOM 974 NE2 GLN B 29 16.199 8.716 0.522 1.00 1.99 N ATOM 0 H GLN B 29 12.115 10.003 -0.676 1.00 0.80 H new ATOM 0 HA GLN B 29 14.553 11.022 0.137 1.00 0.92 H new ATOM 0 HB2 GLN B 29 13.682 9.944 -2.566 1.00 1.05 H new ATOM 0 HB3 GLN B 29 15.351 10.196 -2.095 1.00 1.05 H new ATOM 0 HG2 GLN B 29 13.707 8.562 -0.223 1.00 1.34 H new ATOM 0 HG3 GLN B 29 14.019 7.846 -1.792 1.00 1.34 H new ATOM 0 HE21 GLN B 29 15.601 9.364 1.035 1.00 1.99 H new ATOM 0 HE22 GLN B 29 17.124 8.481 0.883 1.00 1.99 H new ATOM 983 N GLN B 30 13.008 12.893 -2.049 1.00 0.93 N ATOM 984 CA GLN B 30 13.010 14.190 -2.709 1.00 1.05 C ATOM 985 C GLN B 30 12.984 15.311 -1.675 1.00 1.03 C ATOM 986 O GLN B 30 13.543 16.386 -1.898 1.00 1.16 O ATOM 987 CB GLN B 30 11.806 14.311 -3.645 1.00 1.14 C ATOM 988 CG GLN B 30 11.975 15.374 -4.718 1.00 1.56 C ATOM 989 CD GLN B 30 13.226 15.170 -5.549 1.00 1.85 C ATOM 990 OE1 GLN B 30 13.832 14.099 -5.527 1.00 2.32 O ATOM 991 NE2 GLN B 30 13.622 16.200 -6.288 1.00 2.39 N ATOM 0 H GLN B 30 12.127 12.384 -2.123 1.00 0.93 H new ATOM 0 HA GLN B 30 13.923 14.278 -3.298 1.00 1.05 H new ATOM 0 HB2 GLN B 30 11.630 13.348 -4.124 1.00 1.14 H new ATOM 0 HB3 GLN B 30 10.919 14.540 -3.055 1.00 1.14 H new ATOM 0 HG2 GLN B 30 11.103 15.366 -5.372 1.00 1.56 H new ATOM 0 HG3 GLN B 30 12.012 16.357 -4.248 1.00 1.56 H new ATOM 0 HE21 GLN B 30 13.090 17.070 -6.277 1.00 2.39 H new ATOM 0 HE22 GLN B 30 14.458 16.121 -6.867 1.00 2.39 H new ATOM 1000 N HIS B 31 12.341 15.051 -0.537 1.00 0.92 N ATOM 1001 CA HIS B 31 12.258 16.043 0.532 1.00 1.01 C ATOM 1002 C HIS B 31 12.479 15.394 1.900 1.00 1.11 C ATOM 1003 O HIS B 31 11.556 15.294 2.709 1.00 1.33 O ATOM 1004 CB HIS B 31 10.907 16.764 0.503 1.00 1.26 C ATOM 1005 CG HIS B 31 9.743 15.878 0.816 1.00 1.85 C ATOM 1006 ND1 HIS B 31 9.404 14.791 0.048 1.00 1.98 N ATOM 1007 CD2 HIS B 31 8.837 15.922 1.823 1.00 2.73 C ATOM 1008 CE1 HIS B 31 8.340 14.206 0.562 1.00 2.71 C ATOM 1009 NE2 HIS B 31 7.976 14.870 1.643 1.00 3.18 N ATOM 0 H HIS B 31 11.873 14.168 -0.333 1.00 0.92 H new ATOM 0 HA HIS B 31 13.047 16.776 0.366 1.00 1.01 H new ATOM 0 HB2 HIS B 31 10.929 17.586 1.219 1.00 1.26 H new ATOM 0 HB3 HIS B 31 10.762 17.204 -0.484 1.00 1.26 H new ATOM 0 HD1 HIS B 31 9.898 14.484 -0.790 1.00 1.98 H new ATOM 0 HD2 HIS B 31 8.800 16.650 2.619 1.00 2.73 H new ATOM 0 HE1 HIS B 31 7.849 13.330 0.165 1.00 2.71 H new ATOM 1018 N PRO B 32 13.715 14.943 2.177 1.00 1.38 N ATOM 1019 CA PRO B 32 14.053 14.302 3.451 1.00 1.79 C ATOM 1020 C PRO B 32 14.134 15.302 4.598 1.00 1.86 C ATOM 1021 O PRO B 32 13.745 15.002 5.726 1.00 2.31 O ATOM 1022 CB PRO B 32 15.423 13.683 3.179 1.00 2.24 C ATOM 1023 CG PRO B 32 16.023 14.547 2.124 1.00 2.17 C ATOM 1024 CD PRO B 32 14.878 15.021 1.271 1.00 1.64 C ATOM 0 HA PRO B 32 13.298 13.579 3.760 1.00 1.79 H new ATOM 0 HB2 PRO B 32 16.038 13.671 4.079 1.00 2.24 H new ATOM 0 HB3 PRO B 32 15.332 12.651 2.841 1.00 2.24 H new ATOM 0 HG2 PRO B 32 16.554 15.390 2.566 1.00 2.17 H new ATOM 0 HG3 PRO B 32 16.747 13.990 1.530 1.00 2.17 H new ATOM 0 HD2 PRO B 32 15.039 16.038 0.912 1.00 1.64 H new ATOM 0 HD3 PRO B 32 14.745 14.390 0.392 1.00 1.64 H new ATOM 1032 N ARG B 33 14.644 16.491 4.301 1.00 2.06 N ATOM 1033 CA ARG B 33 14.780 17.539 5.306 1.00 2.26 C ATOM 1034 C ARG B 33 15.349 18.813 4.689 1.00 3.01 C ATOM 1035 O ARG B 33 14.949 19.912 5.129 1.00 3.62 O ATOM 1036 CB ARG B 33 15.680 17.068 6.449 1.00 2.19 C ATOM 1037 CG ARG B 33 17.022 16.527 5.983 1.00 2.87 C ATOM 1038 CD ARG B 33 17.071 15.010 6.060 1.00 3.48 C ATOM 1039 NE ARG B 33 17.722 14.544 7.283 1.00 4.18 N ATOM 1040 CZ ARG B 33 17.600 13.308 7.763 1.00 4.96 C ATOM 1041 NH1 ARG B 33 16.853 12.413 7.128 1.00 5.21 N ATOM 1042 NH2 ARG B 33 18.226 12.967 8.881 1.00 5.81 N ATOM 0 H ARG B 33 14.971 16.754 3.371 1.00 2.06 H new ATOM 0 HA ARG B 33 13.788 17.758 5.701 1.00 2.26 H new ATOM 0 HB2 ARG B 33 15.850 17.900 7.133 1.00 2.19 H new ATOM 0 HB3 ARG B 33 15.161 16.293 7.013 1.00 2.19 H new ATOM 0 HG2 ARG B 33 17.207 16.846 4.957 1.00 2.87 H new ATOM 0 HG3 ARG B 33 17.818 16.949 6.597 1.00 2.87 H new ATOM 0 HD2 ARG B 33 16.057 14.612 6.015 1.00 3.48 H new ATOM 0 HD3 ARG B 33 17.606 14.620 5.194 1.00 3.48 H new ATOM 0 HE ARG B 33 18.304 15.204 7.799 1.00 4.18 H new ATOM 0 HH11 ARG B 33 16.369 12.671 6.268 1.00 5.21 H new ATOM 0 HH12 ARG B 33 16.763 11.468 7.500 1.00 5.21 H new ATOM 0 HH21 ARG B 33 18.801 13.651 9.373 1.00 5.81 H new ATOM 0 HH22 ARG B 33 18.133 12.020 9.249 1.00 5.81 H new TER 1056 ARG B 33