USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=10 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+ 138:sc= 0.943 (180deg=-0.105) USER MOD Single : A 1 CYS SG : rot -102:sc= 1.19 USER MOD Single : A 5 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 8 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.6) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0886 X(o=-0.089,f=-0.36) USER MOD Single : A 21 GLN : amide:sc= -0.0368 X(o=-0.037,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -153:sc= -0.101 (180deg=-0.382) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0688 USER MOD Single : A 29 GLN : amide:sc= -1.69! K(o=-1.7!,f=-0.94) USER MOD Single : A 30 GLN : amide:sc= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 31 HIS : no HE2:sc= -7.67! C(o=-7.7!,f=-17!) USER MOD Single : B 1 CYS N :NH3+ 144:sc= 0.536 (180deg=0.169) USER MOD Single : B 1 CYS SG : rot 180:sc= 0.242 USER MOD Single : B 5 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.034) USER MOD Single : B 8 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 9 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0565) USER MOD Single : B 15 HIS : no HD1:sc= -0.0861 X(o=-0.086,f=-0.54) USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.101 USER MOD Single : B 29 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : B 30 GLN : amide:sc= -0.0444 K(o=-0.044,f=-0.6) USER MOD Single : B 31 HIS : no HE2:sc= -7.9! C(o=-7.9!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 12.678 19.516 6.700 1.00 4.71 N ATOM 2 CA CYS A 1 11.690 18.636 6.024 1.00 4.20 C ATOM 3 C CYS A 1 11.157 19.283 4.749 1.00 3.72 C ATOM 4 O CYS A 1 11.701 20.279 4.273 1.00 4.32 O ATOM 5 CB CYS A 1 10.542 18.356 6.997 1.00 4.04 C ATOM 6 SG CYS A 1 9.954 16.647 6.972 1.00 4.94 S ATOM 0 H1 CYS A 1 12.510 19.502 7.726 1.00 4.71 H new ATOM 0 H2 CYS A 1 13.640 19.174 6.502 1.00 4.71 H new ATOM 0 H3 CYS A 1 12.576 20.488 6.346 1.00 4.71 H new ATOM 0 HA CYS A 1 12.176 17.703 5.738 1.00 4.20 H new ATOM 0 HB2 CYS A 1 10.868 18.602 8.008 1.00 4.04 H new ATOM 0 HB3 CYS A 1 9.710 19.019 6.761 1.00 4.04 H new ATOM 0 HG CYS A 1 8.843 16.580 6.300 1.00 4.94 H new ATOM 12 N GLY A 2 10.088 18.711 4.203 1.00 3.04 N ATOM 13 CA GLY A 2 9.500 19.245 2.990 1.00 2.89 C ATOM 14 C GLY A 2 8.523 20.371 3.264 1.00 2.25 C ATOM 15 O GLY A 2 8.860 21.545 3.111 1.00 2.72 O ATOM 0 H GLY A 2 9.619 17.887 4.580 1.00 3.04 H new ATOM 0 HA2 GLY A 2 10.292 19.608 2.335 1.00 2.89 H new ATOM 0 HA3 GLY A 2 8.987 18.445 2.456 1.00 2.89 H new ATOM 19 N GLY A 3 7.305 20.015 3.668 1.00 1.84 N ATOM 20 CA GLY A 3 6.293 21.018 3.955 1.00 1.56 C ATOM 21 C GLY A 3 6.174 22.050 2.849 1.00 1.41 C ATOM 22 O GLY A 3 6.323 23.247 3.089 1.00 1.64 O ATOM 0 H GLY A 3 7.001 19.050 3.801 1.00 1.84 H new ATOM 0 HA2 GLY A 3 5.330 20.528 4.097 1.00 1.56 H new ATOM 0 HA3 GLY A 3 6.537 21.519 4.892 1.00 1.56 H new ATOM 26 N ASP A 4 5.919 21.578 1.633 1.00 1.16 N ATOM 27 CA ASP A 4 5.797 22.462 0.482 1.00 1.32 C ATOM 28 C ASP A 4 4.679 21.994 -0.448 1.00 1.31 C ATOM 29 O ASP A 4 3.548 22.475 -0.373 1.00 1.72 O ATOM 30 CB ASP A 4 7.125 22.501 -0.277 1.00 1.55 C ATOM 31 CG ASP A 4 8.186 23.301 0.453 1.00 2.07 C ATOM 32 OD1 ASP A 4 7.978 24.516 0.658 1.00 2.50 O ATOM 33 OD2 ASP A 4 9.225 22.714 0.819 1.00 2.71 O ATOM 0 H ASP A 4 5.793 20.588 1.420 1.00 1.16 H new ATOM 0 HA ASP A 4 5.549 23.463 0.836 1.00 1.32 H new ATOM 0 HB2 ASP A 4 7.483 21.483 -0.430 1.00 1.55 H new ATOM 0 HB3 ASP A 4 6.963 22.933 -1.264 1.00 1.55 H new ATOM 38 N ASN A 5 5.011 21.047 -1.315 1.00 1.09 N ATOM 39 CA ASN A 5 4.058 20.488 -2.264 1.00 1.25 C ATOM 40 C ASN A 5 4.323 18.999 -2.428 1.00 1.13 C ATOM 41 O ASN A 5 3.400 18.186 -2.438 1.00 1.48 O ATOM 42 CB ASN A 5 4.166 21.197 -3.614 1.00 1.53 C ATOM 43 CG ASN A 5 3.188 22.348 -3.744 1.00 2.03 C ATOM 44 OD1 ASN A 5 3.586 23.501 -3.906 1.00 2.64 O ATOM 45 ND2 ASN A 5 1.899 22.039 -3.672 1.00 2.27 N ATOM 0 H ASN A 5 5.946 20.645 -1.380 1.00 1.09 H new ATOM 0 HA ASN A 5 3.048 20.635 -1.883 1.00 1.25 H new ATOM 0 HB2 ASN A 5 5.182 21.571 -3.744 1.00 1.53 H new ATOM 0 HB3 ASN A 5 3.985 20.479 -4.414 1.00 1.53 H new ATOM 0 HD21 ASN A 5 1.194 22.772 -3.752 1.00 2.27 H new ATOM 0 HD22 ASN A 5 1.614 21.069 -3.537 1.00 2.27 H new ATOM 52 N ILE A 6 5.603 18.653 -2.532 1.00 0.80 N ATOM 53 CA ILE A 6 6.011 17.263 -2.668 1.00 0.71 C ATOM 54 C ILE A 6 5.648 16.498 -1.407 1.00 0.63 C ATOM 55 O ILE A 6 5.017 15.442 -1.458 1.00 0.60 O ATOM 56 CB ILE A 6 7.531 17.126 -2.899 1.00 0.75 C ATOM 57 CG1 ILE A 6 8.062 18.277 -3.764 1.00 1.10 C ATOM 58 CG2 ILE A 6 7.840 15.784 -3.532 1.00 1.03 C ATOM 59 CD1 ILE A 6 9.463 18.050 -4.295 1.00 1.80 C ATOM 0 H ILE A 6 6.375 19.320 -2.524 1.00 0.80 H new ATOM 0 HA ILE A 6 5.490 16.857 -3.535 1.00 0.71 H new ATOM 0 HB ILE A 6 8.035 17.180 -1.934 1.00 0.75 H new ATOM 0 HG12 ILE A 6 7.385 18.429 -4.605 1.00 1.10 H new ATOM 0 HG13 ILE A 6 8.051 19.195 -3.177 1.00 1.10 H new ATOM 0 HG21 ILE A 6 8.915 15.696 -3.692 1.00 1.03 H new ATOM 0 HG22 ILE A 6 7.504 14.984 -2.872 1.00 1.03 H new ATOM 0 HG23 ILE A 6 7.324 15.705 -4.489 1.00 1.03 H new ATOM 0 HD11 ILE A 6 9.767 18.907 -4.896 1.00 1.80 H new ATOM 0 HD12 ILE A 6 10.153 17.929 -3.460 1.00 1.80 H new ATOM 0 HD13 ILE A 6 9.477 17.151 -4.911 1.00 1.80 H new ATOM 71 N GLU A 7 6.057 17.053 -0.273 1.00 0.66 N ATOM 72 CA GLU A 7 5.786 16.448 1.028 1.00 0.63 C ATOM 73 C GLU A 7 4.302 16.137 1.193 1.00 0.59 C ATOM 74 O GLU A 7 3.930 15.137 1.807 1.00 0.56 O ATOM 75 CB GLU A 7 6.250 17.379 2.150 1.00 0.76 C ATOM 76 CG GLU A 7 6.023 16.814 3.544 1.00 0.78 C ATOM 77 CD GLU A 7 7.320 16.547 4.283 1.00 1.41 C ATOM 78 OE1 GLU A 7 8.019 15.576 3.926 1.00 2.15 O ATOM 79 OE2 GLU A 7 7.635 17.309 5.222 1.00 1.96 O ATOM 0 H GLU A 7 6.581 17.927 -0.227 1.00 0.66 H new ATOM 0 HA GLU A 7 6.340 15.511 1.085 1.00 0.63 H new ATOM 0 HB2 GLU A 7 7.312 17.589 2.021 1.00 0.76 H new ATOM 0 HB3 GLU A 7 5.724 18.330 2.062 1.00 0.76 H new ATOM 0 HG2 GLU A 7 5.417 17.513 4.121 1.00 0.78 H new ATOM 0 HG3 GLU A 7 5.455 15.887 3.468 1.00 0.78 H new ATOM 86 N GLN A 8 3.456 16.997 0.638 1.00 0.64 N ATOM 87 CA GLN A 8 2.014 16.807 0.721 1.00 0.64 C ATOM 88 C GLN A 8 1.557 15.736 -0.262 1.00 0.58 C ATOM 89 O GLN A 8 0.595 15.011 -0.005 1.00 0.60 O ATOM 90 CB GLN A 8 1.286 18.122 0.435 1.00 0.74 C ATOM 91 CG GLN A 8 -0.181 18.104 0.831 1.00 1.08 C ATOM 92 CD GLN A 8 -1.065 17.491 -0.238 1.00 1.55 C ATOM 93 OE1 GLN A 8 -1.763 16.508 0.007 1.00 2.21 O ATOM 94 NE2 GLN A 8 -1.040 18.073 -1.431 1.00 2.21 N ATOM 0 H GLN A 8 3.744 17.831 0.127 1.00 0.64 H new ATOM 0 HA GLN A 8 1.770 16.481 1.732 1.00 0.64 H new ATOM 0 HB2 GLN A 8 1.788 18.929 0.969 1.00 0.74 H new ATOM 0 HB3 GLN A 8 1.364 18.347 -0.629 1.00 0.74 H new ATOM 0 HG2 GLN A 8 -0.296 17.543 1.759 1.00 1.08 H new ATOM 0 HG3 GLN A 8 -0.512 19.123 1.031 1.00 1.08 H new ATOM 0 HE21 GLN A 8 -0.446 18.887 -1.589 1.00 2.21 H new ATOM 0 HE22 GLN A 8 -1.615 17.706 -2.189 1.00 2.21 H new ATOM 103 N LYS A 9 2.259 15.640 -1.386 1.00 0.56 N ATOM 104 CA LYS A 9 1.931 14.656 -2.409 1.00 0.54 C ATOM 105 C LYS A 9 2.045 13.241 -1.855 1.00 0.47 C ATOM 106 O LYS A 9 1.218 12.378 -2.151 1.00 0.52 O ATOM 107 CB LYS A 9 2.850 14.823 -3.622 1.00 0.59 C ATOM 108 CG LYS A 9 2.113 15.212 -4.894 1.00 0.86 C ATOM 109 CD LYS A 9 1.697 16.674 -4.871 1.00 1.16 C ATOM 110 CE LYS A 9 1.840 17.314 -6.243 1.00 1.65 C ATOM 111 NZ LYS A 9 2.320 18.721 -6.153 1.00 2.42 N ATOM 0 H LYS A 9 3.059 16.232 -1.611 1.00 0.56 H new ATOM 0 HA LYS A 9 0.900 14.821 -2.722 1.00 0.54 H new ATOM 0 HB2 LYS A 9 3.598 15.583 -3.399 1.00 0.59 H new ATOM 0 HB3 LYS A 9 3.385 13.889 -3.793 1.00 0.59 H new ATOM 0 HG2 LYS A 9 2.753 15.028 -5.757 1.00 0.86 H new ATOM 0 HG3 LYS A 9 1.230 14.583 -5.011 1.00 0.86 H new ATOM 0 HD2 LYS A 9 0.663 16.754 -4.537 1.00 1.16 H new ATOM 0 HD3 LYS A 9 2.308 17.216 -4.150 1.00 1.16 H new ATOM 0 HE2 LYS A 9 2.537 16.731 -6.845 1.00 1.65 H new ATOM 0 HE3 LYS A 9 0.879 17.291 -6.756 1.00 1.65 H new ATOM 0 HZ1 LYS A 9 2.404 19.121 -7.109 1.00 2.42 H new ATOM 0 HZ2 LYS A 9 1.642 19.284 -5.600 1.00 2.42 H new ATOM 0 HZ3 LYS A 9 3.249 18.742 -5.686 1.00 2.42 H new ATOM 125 N ILE A 10 3.075 13.007 -1.049 1.00 0.42 N ATOM 126 CA ILE A 10 3.289 11.693 -0.459 1.00 0.38 C ATOM 127 C ILE A 10 2.234 11.382 0.592 1.00 0.38 C ATOM 128 O ILE A 10 1.708 10.272 0.639 1.00 0.38 O ATOM 129 CB ILE A 10 4.680 11.557 0.184 1.00 0.40 C ATOM 130 CG1 ILE A 10 4.985 12.747 1.095 1.00 0.44 C ATOM 131 CG2 ILE A 10 5.750 11.414 -0.886 1.00 0.46 C ATOM 132 CD1 ILE A 10 6.246 12.569 1.912 1.00 0.95 C ATOM 0 H ILE A 10 3.771 13.707 -0.791 1.00 0.42 H new ATOM 0 HA ILE A 10 3.215 10.981 -1.281 1.00 0.38 H new ATOM 0 HB ILE A 10 4.681 10.656 0.798 1.00 0.40 H new ATOM 0 HG12 ILE A 10 5.079 13.647 0.487 1.00 0.44 H new ATOM 0 HG13 ILE A 10 4.143 12.905 1.769 1.00 0.44 H new ATOM 0 HG21 ILE A 10 6.727 11.319 -0.413 1.00 0.46 H new ATOM 0 HG22 ILE A 10 5.549 10.526 -1.485 1.00 0.46 H new ATOM 0 HG23 ILE A 10 5.742 12.294 -1.528 1.00 0.46 H new ATOM 0 HD11 ILE A 10 6.403 13.449 2.536 1.00 0.95 H new ATOM 0 HD12 ILE A 10 6.147 11.688 2.546 1.00 0.95 H new ATOM 0 HD13 ILE A 10 7.098 12.442 1.244 1.00 0.95 H new ATOM 144 N ASP A 11 1.920 12.365 1.434 1.00 0.41 N ATOM 145 CA ASP A 11 0.915 12.177 2.476 1.00 0.46 C ATOM 146 C ASP A 11 -0.347 11.571 1.880 1.00 0.46 C ATOM 147 O ASP A 11 -1.026 10.755 2.507 1.00 0.50 O ATOM 148 CB ASP A 11 0.590 13.511 3.153 1.00 0.54 C ATOM 149 CG ASP A 11 -0.244 13.334 4.407 1.00 0.75 C ATOM 150 OD1 ASP A 11 0.172 12.559 5.292 1.00 1.32 O ATOM 151 OD2 ASP A 11 -1.314 13.971 4.503 1.00 1.48 O ATOM 0 H ASP A 11 2.344 13.293 1.415 1.00 0.41 H new ATOM 0 HA ASP A 11 1.315 11.496 3.227 1.00 0.46 H new ATOM 0 HB2 ASP A 11 1.519 14.023 3.407 1.00 0.54 H new ATOM 0 HB3 ASP A 11 0.055 14.151 2.451 1.00 0.54 H new ATOM 156 N ASP A 12 -0.634 11.959 0.644 1.00 0.46 N ATOM 157 CA ASP A 12 -1.796 11.444 -0.063 1.00 0.51 C ATOM 158 C ASP A 12 -1.590 9.971 -0.365 1.00 0.48 C ATOM 159 O ASP A 12 -2.473 9.142 -0.138 1.00 0.52 O ATOM 160 CB ASP A 12 -2.026 12.225 -1.360 1.00 0.56 C ATOM 161 CG ASP A 12 -3.065 13.317 -1.200 1.00 0.70 C ATOM 162 OD1 ASP A 12 -2.862 14.211 -0.350 1.00 1.41 O ATOM 163 OD2 ASP A 12 -4.082 13.280 -1.924 1.00 1.28 O ATOM 0 H ASP A 12 -0.078 12.628 0.112 1.00 0.46 H new ATOM 0 HA ASP A 12 -2.678 11.564 0.566 1.00 0.51 H new ATOM 0 HB2 ASP A 12 -1.085 12.668 -1.686 1.00 0.56 H new ATOM 0 HB3 ASP A 12 -2.343 11.537 -2.144 1.00 0.56 H new ATOM 168 N ILE A 13 -0.402 9.649 -0.861 1.00 0.43 N ATOM 169 CA ILE A 13 -0.055 8.274 -1.178 1.00 0.44 C ATOM 170 C ILE A 13 -0.119 7.411 0.073 1.00 0.44 C ATOM 171 O ILE A 13 -0.726 6.346 0.067 1.00 0.47 O ATOM 172 CB ILE A 13 1.354 8.174 -1.792 1.00 0.42 C ATOM 173 CG1 ILE A 13 1.506 9.180 -2.935 1.00 0.44 C ATOM 174 CG2 ILE A 13 1.621 6.756 -2.277 1.00 0.48 C ATOM 175 CD1 ILE A 13 2.795 9.028 -3.715 1.00 0.47 C ATOM 0 H ILE A 13 0.338 10.325 -1.052 1.00 0.43 H new ATOM 0 HA ILE A 13 -0.778 7.916 -1.910 1.00 0.44 H new ATOM 0 HB ILE A 13 2.090 8.415 -1.025 1.00 0.42 H new ATOM 0 HG12 ILE A 13 0.664 9.070 -3.618 1.00 0.44 H new ATOM 0 HG13 ILE A 13 1.456 10.190 -2.527 1.00 0.44 H new ATOM 0 HG21 ILE A 13 2.621 6.701 -2.708 1.00 0.48 H new ATOM 0 HG22 ILE A 13 1.550 6.065 -1.437 1.00 0.48 H new ATOM 0 HG23 ILE A 13 0.884 6.485 -3.033 1.00 0.48 H new ATOM 0 HD11 ILE A 13 2.831 9.775 -4.508 1.00 0.47 H new ATOM 0 HD12 ILE A 13 3.644 9.168 -3.046 1.00 0.47 H new ATOM 0 HD13 ILE A 13 2.839 8.031 -4.154 1.00 0.47 H new ATOM 187 N ASP A 14 0.503 7.884 1.150 1.00 0.43 N ATOM 188 CA ASP A 14 0.509 7.155 2.417 1.00 0.47 C ATOM 189 C ASP A 14 -0.897 6.702 2.793 1.00 0.51 C ATOM 190 O ASP A 14 -1.078 5.652 3.411 1.00 0.55 O ATOM 191 CB ASP A 14 1.089 8.030 3.530 1.00 0.49 C ATOM 192 CG ASP A 14 1.822 7.219 4.580 1.00 0.61 C ATOM 193 OD1 ASP A 14 2.360 6.146 4.233 1.00 1.29 O ATOM 194 OD2 ASP A 14 1.857 7.655 5.750 1.00 1.26 O ATOM 0 H ASP A 14 1.010 8.769 1.171 1.00 0.43 H new ATOM 0 HA ASP A 14 1.135 6.271 2.294 1.00 0.47 H new ATOM 0 HB2 ASP A 14 1.773 8.760 3.096 1.00 0.49 H new ATOM 0 HB3 ASP A 14 0.284 8.591 4.005 1.00 0.49 H new ATOM 199 N HIS A 15 -1.891 7.496 2.409 1.00 0.51 N ATOM 200 CA HIS A 15 -3.280 7.170 2.700 1.00 0.56 C ATOM 201 C HIS A 15 -3.770 6.064 1.774 1.00 0.57 C ATOM 202 O HIS A 15 -4.658 5.289 2.128 1.00 0.62 O ATOM 203 CB HIS A 15 -4.159 8.409 2.541 1.00 0.59 C ATOM 204 CG HIS A 15 -5.403 8.371 3.373 1.00 0.73 C ATOM 205 ND1 HIS A 15 -5.753 7.290 4.155 1.00 0.87 N ATOM 206 CD2 HIS A 15 -6.383 9.290 3.544 1.00 0.98 C ATOM 207 CE1 HIS A 15 -6.894 7.546 4.771 1.00 1.04 C ATOM 208 NE2 HIS A 15 -7.296 8.752 4.418 1.00 1.11 N ATOM 0 H HIS A 15 -1.760 8.368 1.897 1.00 0.51 H new ATOM 0 HA HIS A 15 -3.344 6.821 3.731 1.00 0.56 H new ATOM 0 HB2 HIS A 15 -3.579 9.292 2.809 1.00 0.59 H new ATOM 0 HB3 HIS A 15 -4.436 8.516 1.492 1.00 0.59 H new ATOM 0 HD2 HIS A 15 -6.437 10.264 3.080 1.00 0.98 H new ATOM 0 HE1 HIS A 15 -7.410 6.881 5.448 1.00 1.04 H new ATOM 0 HE2 HIS A 15 -8.147 9.211 4.742 1.00 1.11 H new ATOM 217 N GLU A 16 -3.183 6.003 0.584 1.00 0.54 N ATOM 218 CA GLU A 16 -3.558 5.000 -0.401 1.00 0.57 C ATOM 219 C GLU A 16 -2.796 3.698 -0.173 1.00 0.57 C ATOM 220 O GLU A 16 -3.332 2.610 -0.377 1.00 0.63 O ATOM 221 CB GLU A 16 -3.289 5.521 -1.815 1.00 0.56 C ATOM 222 CG GLU A 16 -3.719 6.964 -2.022 1.00 0.57 C ATOM 223 CD GLU A 16 -5.187 7.089 -2.381 1.00 1.30 C ATOM 224 OE1 GLU A 16 -5.650 6.333 -3.260 1.00 1.99 O ATOM 225 OE2 GLU A 16 -5.873 7.944 -1.782 1.00 2.07 O ATOM 0 H GLU A 16 -2.445 6.638 0.280 1.00 0.54 H new ATOM 0 HA GLU A 16 -4.623 4.799 -0.290 1.00 0.57 H new ATOM 0 HB2 GLU A 16 -2.224 5.433 -2.029 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -3.812 4.888 -2.532 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -3.521 7.532 -1.113 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -3.116 7.409 -2.813 1.00 0.57 H new ATOM 232 N ILE A 17 -1.546 3.820 0.257 1.00 0.54 N ATOM 233 CA ILE A 17 -0.703 2.660 0.518 1.00 0.57 C ATOM 234 C ILE A 17 -1.285 1.816 1.647 1.00 0.59 C ATOM 235 O ILE A 17 -1.171 0.589 1.649 1.00 0.62 O ATOM 236 CB ILE A 17 0.730 3.083 0.899 1.00 0.59 C ATOM 237 CG1 ILE A 17 1.273 4.100 -0.106 1.00 0.57 C ATOM 238 CG2 ILE A 17 1.643 1.868 0.969 1.00 0.66 C ATOM 239 CD1 ILE A 17 2.301 5.039 0.482 1.00 0.94 C ATOM 0 H ILE A 17 -1.092 4.716 0.433 1.00 0.54 H new ATOM 0 HA ILE A 17 -0.668 2.073 -0.400 1.00 0.57 H new ATOM 0 HB ILE A 17 0.700 3.551 1.883 1.00 0.59 H new ATOM 0 HG12 ILE A 17 1.718 3.567 -0.946 1.00 0.57 H new ATOM 0 HG13 ILE A 17 0.443 4.685 -0.503 1.00 0.57 H new ATOM 0 HG21 ILE A 17 2.650 2.185 1.239 1.00 0.66 H new ATOM 0 HG22 ILE A 17 1.267 1.173 1.720 1.00 0.66 H new ATOM 0 HG23 ILE A 17 1.666 1.374 -0.002 1.00 0.66 H new ATOM 0 HD11 ILE A 17 2.642 5.732 -0.287 1.00 0.94 H new ATOM 0 HD12 ILE A 17 1.854 5.599 1.304 1.00 0.94 H new ATOM 0 HD13 ILE A 17 3.149 4.464 0.854 1.00 0.94 H new ATOM 251 N ALA A 18 -1.911 2.490 2.607 1.00 0.58 N ATOM 252 CA ALA A 18 -2.516 1.818 3.750 1.00 0.61 C ATOM 253 C ALA A 18 -3.877 1.234 3.389 1.00 0.62 C ATOM 254 O ALA A 18 -4.244 0.157 3.858 1.00 0.66 O ATOM 255 CB ALA A 18 -2.647 2.785 4.917 1.00 0.65 C ATOM 0 H ALA A 18 -2.012 3.505 2.615 1.00 0.58 H new ATOM 0 HA ALA A 18 -1.865 0.994 4.043 1.00 0.61 H new ATOM 0 HB1 ALA A 18 -3.100 2.272 5.765 1.00 0.65 H new ATOM 0 HB2 ALA A 18 -1.660 3.151 5.199 1.00 0.65 H new ATOM 0 HB3 ALA A 18 -3.275 3.626 4.624 1.00 0.65 H new ATOM 261 N ASP A 19 -4.623 1.951 2.552 1.00 0.61 N ATOM 262 CA ASP A 19 -5.944 1.499 2.129 1.00 0.64 C ATOM 263 C ASP A 19 -5.875 0.092 1.546 1.00 0.61 C ATOM 264 O ASP A 19 -6.697 -0.767 1.866 1.00 0.66 O ATOM 265 CB ASP A 19 -6.532 2.468 1.099 1.00 0.66 C ATOM 266 CG ASP A 19 -7.951 2.877 1.435 1.00 1.09 C ATOM 267 OD1 ASP A 19 -8.137 3.626 2.417 1.00 1.79 O ATOM 268 OD2 ASP A 19 -8.880 2.447 0.717 1.00 1.64 O ATOM 0 H ASP A 19 -4.335 2.845 2.155 1.00 0.61 H new ATOM 0 HA ASP A 19 -6.593 1.477 3.005 1.00 0.64 H new ATOM 0 HB2 ASP A 19 -5.904 3.357 1.041 1.00 0.66 H new ATOM 0 HB3 ASP A 19 -6.515 2.001 0.114 1.00 0.66 H new ATOM 273 N LEU A 20 -4.883 -0.138 0.692 1.00 0.56 N ATOM 274 CA LEU A 20 -4.702 -1.441 0.066 1.00 0.54 C ATOM 275 C LEU A 20 -4.306 -2.488 1.100 1.00 0.52 C ATOM 276 O LEU A 20 -4.911 -3.557 1.181 1.00 0.50 O ATOM 277 CB LEU A 20 -3.641 -1.366 -1.032 1.00 0.58 C ATOM 278 CG LEU A 20 -3.745 -0.154 -1.960 1.00 0.58 C ATOM 279 CD1 LEU A 20 -2.861 -0.349 -3.181 1.00 0.63 C ATOM 280 CD2 LEU A 20 -5.188 0.085 -2.381 1.00 0.62 C ATOM 0 H LEU A 20 -4.193 0.561 0.418 1.00 0.56 H new ATOM 0 HA LEU A 20 -5.652 -1.735 -0.381 1.00 0.54 H new ATOM 0 HB2 LEU A 20 -2.657 -1.361 -0.564 1.00 0.58 H new ATOM 0 HB3 LEU A 20 -3.702 -2.271 -1.636 1.00 0.58 H new ATOM 0 HG LEU A 20 -3.401 0.725 -1.415 1.00 0.58 H new ATOM 0 HD11 LEU A 20 -2.944 0.520 -3.833 1.00 0.63 H new ATOM 0 HD12 LEU A 20 -1.825 -0.467 -2.865 1.00 0.63 H new ATOM 0 HD13 LEU A 20 -3.179 -1.240 -3.722 1.00 0.63 H new ATOM 0 HD21 LEU A 20 -5.236 0.952 -3.040 1.00 0.62 H new ATOM 0 HD22 LEU A 20 -5.564 -0.792 -2.907 1.00 0.62 H new ATOM 0 HD23 LEU A 20 -5.799 0.267 -1.497 1.00 0.62 H new ATOM 292 N GLN A 21 -3.280 -2.175 1.890 1.00 0.54 N ATOM 293 CA GLN A 21 -2.799 -3.092 2.920 1.00 0.55 C ATOM 294 C GLN A 21 -3.951 -3.603 3.781 1.00 0.53 C ATOM 295 O GLN A 21 -3.945 -4.750 4.225 1.00 0.53 O ATOM 296 CB GLN A 21 -1.755 -2.402 3.798 1.00 0.60 C ATOM 297 CG GLN A 21 -0.983 -3.360 4.692 1.00 0.87 C ATOM 298 CD GLN A 21 0.218 -2.706 5.347 1.00 1.25 C ATOM 299 OE1 GLN A 21 0.311 -2.640 6.573 1.00 1.99 O ATOM 300 NE2 GLN A 21 1.145 -2.219 4.530 1.00 1.74 N ATOM 0 H GLN A 21 -2.767 -1.295 1.836 1.00 0.54 H new ATOM 0 HA GLN A 21 -2.339 -3.946 2.423 1.00 0.55 H new ATOM 0 HB2 GLN A 21 -1.052 -1.867 3.160 1.00 0.60 H new ATOM 0 HB3 GLN A 21 -2.251 -1.657 4.420 1.00 0.60 H new ATOM 0 HG2 GLN A 21 -1.648 -3.746 5.464 1.00 0.87 H new ATOM 0 HG3 GLN A 21 -0.650 -4.214 4.102 1.00 0.87 H new ATOM 0 HE21 GLN A 21 1.026 -2.296 3.520 1.00 1.74 H new ATOM 0 HE22 GLN A 21 1.976 -1.768 4.913 1.00 1.74 H new ATOM 309 N ALA A 22 -4.937 -2.743 4.010 1.00 0.55 N ATOM 310 CA ALA A 22 -6.097 -3.109 4.812 1.00 0.57 C ATOM 311 C ALA A 22 -7.004 -4.068 4.048 1.00 0.55 C ATOM 312 O ALA A 22 -7.670 -4.915 4.643 1.00 0.65 O ATOM 313 CB ALA A 22 -6.869 -1.864 5.225 1.00 0.65 C ATOM 0 H ALA A 22 -4.956 -1.788 3.652 1.00 0.55 H new ATOM 0 HA ALA A 22 -5.745 -3.616 5.710 1.00 0.57 H new ATOM 0 HB1 ALA A 22 -7.733 -2.153 5.824 1.00 0.65 H new ATOM 0 HB2 ALA A 22 -6.222 -1.213 5.813 1.00 0.65 H new ATOM 0 HB3 ALA A 22 -7.206 -1.333 4.335 1.00 0.65 H new ATOM 319 N LYS A 23 -7.023 -3.926 2.726 1.00 0.53 N ATOM 320 CA LYS A 23 -7.845 -4.779 1.878 1.00 0.55 C ATOM 321 C LYS A 23 -7.322 -6.212 1.873 1.00 0.50 C ATOM 322 O LYS A 23 -8.090 -7.162 1.733 1.00 0.57 O ATOM 323 CB LYS A 23 -7.879 -4.231 0.450 1.00 0.61 C ATOM 324 CG LYS A 23 -8.718 -2.972 0.300 1.00 0.70 C ATOM 325 CD LYS A 23 -8.095 -2.003 -0.691 1.00 0.79 C ATOM 326 CE LYS A 23 -9.150 -1.333 -1.554 1.00 0.96 C ATOM 327 NZ LYS A 23 -9.846 -2.308 -2.440 1.00 1.53 N ATOM 0 H LYS A 23 -6.478 -3.228 2.220 1.00 0.53 H new ATOM 0 HA LYS A 23 -8.857 -4.784 2.283 1.00 0.55 H new ATOM 0 HB2 LYS A 23 -6.860 -4.019 0.127 1.00 0.61 H new ATOM 0 HB3 LYS A 23 -8.271 -5.000 -0.216 1.00 0.61 H new ATOM 0 HG2 LYS A 23 -9.721 -3.239 -0.032 1.00 0.70 H new ATOM 0 HG3 LYS A 23 -8.823 -2.485 1.270 1.00 0.70 H new ATOM 0 HD2 LYS A 23 -7.529 -1.244 -0.152 1.00 0.79 H new ATOM 0 HD3 LYS A 23 -7.388 -2.536 -1.327 1.00 0.79 H new ATOM 0 HE2 LYS A 23 -9.881 -0.838 -0.915 1.00 0.96 H new ATOM 0 HE3 LYS A 23 -8.683 -0.559 -2.163 1.00 0.96 H new ATOM 0 HZ1 LYS A 23 -10.194 -1.819 -3.289 1.00 1.53 H new ATOM 0 HZ2 LYS A 23 -9.182 -3.058 -2.720 1.00 1.53 H new ATOM 0 HZ3 LYS A 23 -10.649 -2.729 -1.930 1.00 1.53 H new ATOM 341 N ARG A 24 -6.010 -6.362 2.022 1.00 0.46 N ATOM 342 CA ARG A 24 -5.391 -7.682 2.030 1.00 0.50 C ATOM 343 C ARG A 24 -5.700 -8.426 3.326 1.00 0.52 C ATOM 344 O ARG A 24 -5.983 -9.624 3.313 1.00 0.60 O ATOM 345 CB ARG A 24 -3.875 -7.557 1.853 1.00 0.61 C ATOM 346 CG ARG A 24 -3.389 -7.983 0.479 1.00 1.15 C ATOM 347 CD ARG A 24 -1.928 -8.400 0.507 1.00 1.41 C ATOM 348 NE ARG A 24 -1.751 -9.807 0.157 1.00 1.70 N ATOM 349 CZ ARG A 24 -0.718 -10.550 0.550 1.00 2.38 C ATOM 350 NH1 ARG A 24 0.240 -10.024 1.304 1.00 2.89 N ATOM 351 NH2 ARG A 24 -0.641 -11.822 0.186 1.00 2.74 N ATOM 0 H ARG A 24 -5.356 -5.588 2.139 1.00 0.46 H new ATOM 0 HA ARG A 24 -5.805 -8.252 1.199 1.00 0.50 H new ATOM 0 HB2 ARG A 24 -3.581 -6.522 2.029 1.00 0.61 H new ATOM 0 HB3 ARG A 24 -3.377 -8.163 2.610 1.00 0.61 H new ATOM 0 HG2 ARG A 24 -3.998 -8.812 0.118 1.00 1.15 H new ATOM 0 HG3 ARG A 24 -3.520 -7.161 -0.225 1.00 1.15 H new ATOM 0 HD2 ARG A 24 -1.361 -7.780 -0.188 1.00 1.41 H new ATOM 0 HD3 ARG A 24 -1.519 -8.220 1.501 1.00 1.41 H new ATOM 0 HE ARG A 24 -2.463 -10.248 -0.425 1.00 1.70 H new ATOM 0 HH11 ARG A 24 0.188 -9.045 1.586 1.00 2.89 H new ATOM 0 HH12 ARG A 24 1.028 -10.599 1.601 1.00 2.89 H new ATOM 0 HH21 ARG A 24 -1.373 -12.231 -0.395 1.00 2.74 H new ATOM 0 HH22 ARG A 24 0.150 -12.392 0.487 1.00 2.74 H new ATOM 365 N THR A 25 -5.637 -7.710 4.444 1.00 0.53 N ATOM 366 CA THR A 25 -5.901 -8.302 5.750 1.00 0.60 C ATOM 367 C THR A 25 -7.350 -8.757 5.873 1.00 0.59 C ATOM 368 O THR A 25 -7.620 -9.924 6.157 1.00 0.67 O ATOM 369 CB THR A 25 -5.582 -7.302 6.860 1.00 0.66 C ATOM 370 OG1 THR A 25 -4.728 -6.276 6.384 1.00 0.77 O ATOM 371 CG2 THR A 25 -4.917 -7.934 8.063 1.00 0.81 C ATOM 0 H THR A 25 -5.405 -6.717 4.471 1.00 0.53 H new ATOM 0 HA THR A 25 -5.258 -9.176 5.851 1.00 0.60 H new ATOM 0 HB THR A 25 -6.546 -6.899 7.169 1.00 0.66 H new ATOM 0 HG1 THR A 25 -4.538 -5.646 7.110 1.00 0.77 H new ATOM 0 HG21 THR A 25 -4.718 -7.168 8.813 1.00 0.81 H new ATOM 0 HG22 THR A 25 -5.575 -8.693 8.485 1.00 0.81 H new ATOM 0 HG23 THR A 25 -3.978 -8.396 7.759 1.00 0.81 H new ATOM 379 N ARG A 26 -8.282 -7.829 5.665 1.00 0.56 N ATOM 380 CA ARG A 26 -9.704 -8.146 5.762 1.00 0.61 C ATOM 381 C ARG A 26 -10.027 -9.399 4.956 1.00 0.58 C ATOM 382 O ARG A 26 -10.789 -10.261 5.402 1.00 0.65 O ATOM 383 CB ARG A 26 -10.553 -6.964 5.283 1.00 0.64 C ATOM 384 CG ARG A 26 -10.425 -6.672 3.797 1.00 0.59 C ATOM 385 CD ARG A 26 -11.521 -7.360 2.999 1.00 1.02 C ATOM 386 NE ARG A 26 -11.866 -6.616 1.789 1.00 1.36 N ATOM 387 CZ ARG A 26 -12.406 -5.399 1.794 1.00 1.88 C ATOM 388 NH1 ARG A 26 -12.668 -4.786 2.942 1.00 2.38 N ATOM 389 NH2 ARG A 26 -12.685 -4.795 0.648 1.00 2.54 N ATOM 0 H ARG A 26 -8.079 -6.857 5.430 1.00 0.56 H new ATOM 0 HA ARG A 26 -9.943 -8.338 6.808 1.00 0.61 H new ATOM 0 HB2 ARG A 26 -11.599 -7.164 5.515 1.00 0.64 H new ATOM 0 HB3 ARG A 26 -10.267 -6.074 5.844 1.00 0.64 H new ATOM 0 HG2 ARG A 26 -10.473 -5.596 3.631 1.00 0.59 H new ATOM 0 HG3 ARG A 26 -9.450 -7.006 3.442 1.00 0.59 H new ATOM 0 HD2 ARG A 26 -11.196 -8.364 2.727 1.00 1.02 H new ATOM 0 HD3 ARG A 26 -12.408 -7.470 3.622 1.00 1.02 H new ATOM 0 HE ARG A 26 -11.682 -7.055 0.887 1.00 1.36 H new ATOM 0 HH11 ARG A 26 -12.456 -5.247 3.827 1.00 2.38 H new ATOM 0 HH12 ARG A 26 -13.082 -3.854 2.939 1.00 2.38 H new ATOM 0 HH21 ARG A 26 -12.486 -5.262 -0.236 1.00 2.54 H new ATOM 0 HH22 ARG A 26 -13.099 -3.863 0.650 1.00 2.54 H new ATOM 403 N LEU A 27 -9.422 -9.508 3.780 1.00 0.51 N ATOM 404 CA LEU A 27 -9.630 -10.672 2.935 1.00 0.51 C ATOM 405 C LEU A 27 -9.105 -11.915 3.637 1.00 0.53 C ATOM 406 O LEU A 27 -9.729 -12.973 3.597 1.00 0.59 O ATOM 407 CB LEU A 27 -8.934 -10.495 1.583 1.00 0.47 C ATOM 408 CG LEU A 27 -9.858 -10.111 0.424 1.00 0.66 C ATOM 409 CD1 LEU A 27 -9.838 -8.608 0.199 1.00 1.31 C ATOM 410 CD2 LEU A 27 -9.455 -10.847 -0.846 1.00 1.35 C ATOM 0 H LEU A 27 -8.788 -8.809 3.394 1.00 0.51 H new ATOM 0 HA LEU A 27 -10.699 -10.785 2.754 1.00 0.51 H new ATOM 0 HB2 LEU A 27 -8.166 -9.728 1.685 1.00 0.47 H new ATOM 0 HB3 LEU A 27 -8.425 -11.425 1.329 1.00 0.47 H new ATOM 0 HG LEU A 27 -10.875 -10.405 0.684 1.00 0.66 H new ATOM 0 HD11 LEU A 27 -10.501 -8.355 -0.629 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -10.176 -8.100 1.102 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -8.823 -8.289 -0.038 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -10.123 -10.562 -1.659 1.00 1.35 H new ATOM 0 HD22 LEU A 27 -8.430 -10.585 -1.109 1.00 1.35 H new ATOM 0 HD23 LEU A 27 -9.523 -11.922 -0.681 1.00 1.35 H new ATOM 422 N VAL A 28 -7.958 -11.770 4.300 1.00 0.54 N ATOM 423 CA VAL A 28 -7.359 -12.877 5.029 1.00 0.62 C ATOM 424 C VAL A 28 -8.293 -13.342 6.136 1.00 0.72 C ATOM 425 O VAL A 28 -8.498 -14.541 6.330 1.00 0.79 O ATOM 426 CB VAL A 28 -6.004 -12.486 5.646 1.00 0.65 C ATOM 427 CG1 VAL A 28 -5.336 -13.697 6.283 1.00 0.77 C ATOM 428 CG2 VAL A 28 -5.097 -11.857 4.598 1.00 0.62 C ATOM 0 H VAL A 28 -7.430 -10.898 4.345 1.00 0.54 H new ATOM 0 HA VAL A 28 -7.193 -13.684 4.315 1.00 0.62 H new ATOM 0 HB VAL A 28 -6.184 -11.746 6.426 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -4.380 -13.400 6.714 1.00 0.77 H new ATOM 0 HG12 VAL A 28 -5.979 -14.096 7.067 1.00 0.77 H new ATOM 0 HG13 VAL A 28 -5.171 -14.462 5.525 1.00 0.77 H new ATOM 0 HG21 VAL A 28 -4.145 -11.588 5.055 1.00 0.62 H new ATOM 0 HG22 VAL A 28 -4.924 -12.570 3.792 1.00 0.62 H new ATOM 0 HG23 VAL A 28 -5.572 -10.962 4.196 1.00 0.62 H new ATOM 438 N GLN A 29 -8.871 -12.379 6.848 1.00 0.76 N ATOM 439 CA GLN A 29 -9.804 -12.684 7.926 1.00 0.87 C ATOM 440 C GLN A 29 -10.896 -13.616 7.417 1.00 0.87 C ATOM 441 O GLN A 29 -11.438 -14.429 8.167 1.00 0.97 O ATOM 442 CB GLN A 29 -10.425 -11.398 8.476 1.00 0.95 C ATOM 443 CG GLN A 29 -9.651 -10.798 9.638 1.00 1.50 C ATOM 444 CD GLN A 29 -8.279 -10.297 9.228 1.00 1.68 C ATOM 445 OE1 GLN A 29 -7.376 -11.085 8.950 1.00 2.23 O ATOM 446 NE2 GLN A 29 -8.118 -8.980 9.192 1.00 2.15 N ATOM 0 H GLN A 29 -8.710 -11.383 6.698 1.00 0.76 H new ATOM 0 HA GLN A 29 -9.260 -13.177 8.731 1.00 0.87 H new ATOM 0 HB2 GLN A 29 -10.488 -10.663 7.674 1.00 0.95 H new ATOM 0 HB3 GLN A 29 -11.445 -11.606 8.799 1.00 0.95 H new ATOM 0 HG2 GLN A 29 -10.223 -9.973 10.063 1.00 1.50 H new ATOM 0 HG3 GLN A 29 -9.541 -11.547 10.422 1.00 1.50 H new ATOM 0 HE21 GLN A 29 -8.895 -8.364 9.431 1.00 2.15 H new ATOM 0 HE22 GLN A 29 -7.217 -8.583 8.926 1.00 2.15 H new ATOM 455 N GLN A 30 -11.202 -13.495 6.128 1.00 0.83 N ATOM 456 CA GLN A 30 -12.215 -14.332 5.500 1.00 0.93 C ATOM 457 C GLN A 30 -11.671 -15.737 5.254 1.00 0.96 C ATOM 458 O GLN A 30 -12.421 -16.713 5.265 1.00 1.09 O ATOM 459 CB GLN A 30 -12.672 -13.711 4.179 1.00 0.98 C ATOM 460 CG GLN A 30 -13.982 -14.280 3.659 1.00 1.46 C ATOM 461 CD GLN A 30 -15.194 -13.617 4.284 1.00 1.70 C ATOM 462 OE1 GLN A 30 -15.744 -12.663 3.734 1.00 2.18 O ATOM 463 NE2 GLN A 30 -15.615 -14.121 5.438 1.00 2.29 N ATOM 0 H GLN A 30 -10.761 -12.824 5.499 1.00 0.83 H new ATOM 0 HA GLN A 30 -13.069 -14.400 6.173 1.00 0.93 H new ATOM 0 HB2 GLN A 30 -12.781 -12.635 4.312 1.00 0.98 H new ATOM 0 HB3 GLN A 30 -11.896 -13.863 3.428 1.00 0.98 H new ATOM 0 HG2 GLN A 30 -14.023 -14.157 2.577 1.00 1.46 H new ATOM 0 HG3 GLN A 30 -14.014 -15.351 3.860 1.00 1.46 H new ATOM 0 HE21 GLN A 30 -15.127 -14.913 5.857 1.00 2.29 H new ATOM 0 HE22 GLN A 30 -16.426 -13.716 5.906 1.00 2.29 H new ATOM 472 N HIS A 31 -10.359 -15.834 5.037 1.00 0.87 N ATOM 473 CA HIS A 31 -9.721 -17.126 4.794 1.00 0.98 C ATOM 474 C HIS A 31 -8.380 -17.222 5.522 1.00 1.03 C ATOM 475 O HIS A 31 -7.333 -17.396 4.898 1.00 1.06 O ATOM 476 CB HIS A 31 -9.521 -17.357 3.292 1.00 0.99 C ATOM 477 CG HIS A 31 -8.542 -16.417 2.662 1.00 1.40 C ATOM 478 ND1 HIS A 31 -8.728 -15.056 2.629 1.00 1.72 N ATOM 479 CD2 HIS A 31 -7.362 -16.649 2.038 1.00 2.18 C ATOM 480 CE1 HIS A 31 -7.710 -14.489 2.010 1.00 2.19 C ATOM 481 NE2 HIS A 31 -6.864 -15.432 1.644 1.00 2.47 N ATOM 0 H HIS A 31 -9.721 -15.038 5.025 1.00 0.87 H new ATOM 0 HA HIS A 31 -10.381 -17.901 5.184 1.00 0.98 H new ATOM 0 HB2 HIS A 31 -9.182 -18.381 3.133 1.00 0.99 H new ATOM 0 HB3 HIS A 31 -10.482 -17.258 2.787 1.00 0.99 H new ATOM 0 HD1 HIS A 31 -9.529 -14.561 3.022 1.00 1.72 H new ATOM 0 HD2 HIS A 31 -6.899 -17.612 1.880 1.00 2.18 H new ATOM 0 HE1 HIS A 31 -7.590 -13.430 1.833 1.00 2.19 H new ATOM 490 N PRO A 32 -8.396 -17.108 6.861 1.00 1.13 N ATOM 491 CA PRO A 32 -7.182 -17.179 7.674 1.00 1.29 C ATOM 492 C PRO A 32 -6.747 -18.615 7.944 1.00 1.57 C ATOM 493 O PRO A 32 -5.554 -18.909 8.023 1.00 2.23 O ATOM 494 CB PRO A 32 -7.605 -16.495 8.970 1.00 1.44 C ATOM 495 CG PRO A 32 -9.059 -16.796 9.095 1.00 1.39 C ATOM 496 CD PRO A 32 -9.598 -16.896 7.689 1.00 1.19 C ATOM 0 HA PRO A 32 -6.326 -16.716 7.183 1.00 1.29 H new ATOM 0 HB2 PRO A 32 -7.046 -16.880 9.823 1.00 1.44 H new ATOM 0 HB3 PRO A 32 -7.424 -15.421 8.929 1.00 1.44 H new ATOM 0 HG2 PRO A 32 -9.217 -17.728 9.638 1.00 1.39 H new ATOM 0 HG3 PRO A 32 -9.571 -16.011 9.652 1.00 1.39 H new ATOM 0 HD2 PRO A 32 -10.302 -17.722 7.589 1.00 1.19 H new ATOM 0 HD3 PRO A 32 -10.128 -15.989 7.399 1.00 1.19 H new ATOM 504 N ARG A 33 -7.723 -19.504 8.085 1.00 1.74 N ATOM 505 CA ARG A 33 -7.444 -20.910 8.348 1.00 2.03 C ATOM 506 C ARG A 33 -8.271 -21.809 7.433 1.00 3.00 C ATOM 507 O ARG A 33 -8.695 -22.894 7.831 1.00 3.75 O ATOM 508 CB ARG A 33 -7.738 -21.245 9.812 1.00 1.88 C ATOM 509 CG ARG A 33 -9.165 -20.929 10.233 1.00 2.44 C ATOM 510 CD ARG A 33 -9.212 -20.297 11.615 1.00 3.16 C ATOM 511 NE ARG A 33 -10.399 -20.705 12.363 1.00 3.92 N ATOM 512 CZ ARG A 33 -10.871 -20.047 13.420 1.00 4.70 C ATOM 513 NH1 ARG A 33 -10.262 -18.951 13.856 1.00 4.92 N ATOM 514 NH2 ARG A 33 -11.957 -20.486 14.042 1.00 5.58 N ATOM 0 H ARG A 33 -8.715 -19.276 8.022 1.00 1.74 H new ATOM 0 HA ARG A 33 -6.388 -21.089 8.146 1.00 2.03 H new ATOM 0 HB2 ARG A 33 -7.545 -22.304 9.980 1.00 1.88 H new ATOM 0 HB3 ARG A 33 -7.049 -20.690 10.449 1.00 1.88 H new ATOM 0 HG2 ARG A 33 -9.618 -20.254 9.507 1.00 2.44 H new ATOM 0 HG3 ARG A 33 -9.757 -21.844 10.230 1.00 2.44 H new ATOM 0 HD2 ARG A 33 -8.318 -20.577 12.172 1.00 3.16 H new ATOM 0 HD3 ARG A 33 -9.200 -19.211 11.518 1.00 3.16 H new ATOM 0 HE ARG A 33 -10.895 -21.542 12.058 1.00 3.92 H new ATOM 0 HH11 ARG A 33 -9.427 -18.608 13.381 1.00 4.92 H new ATOM 0 HH12 ARG A 33 -10.629 -18.452 14.666 1.00 4.92 H new ATOM 0 HH21 ARG A 33 -12.430 -21.327 13.711 1.00 5.58 H new ATOM 0 HH22 ARG A 33 -12.319 -19.983 14.852 1.00 5.58 H new TER 528 ARG A 33 ATOM 529 N CYS B 1 -5.553 -22.139 5.607 1.00 5.15 N ATOM 530 CA CYS B 1 -4.905 -21.756 4.358 1.00 4.44 C ATOM 531 C CYS B 1 -5.936 -21.327 3.319 1.00 3.68 C ATOM 532 O CYS B 1 -7.125 -21.616 3.453 1.00 4.02 O ATOM 533 CB CYS B 1 -4.069 -22.917 3.816 1.00 4.47 C ATOM 534 SG CYS B 1 -3.024 -23.715 5.056 1.00 5.51 S ATOM 0 H1 CYS B 1 -5.037 -22.933 6.037 1.00 5.15 H new ATOM 0 H2 CYS B 1 -5.551 -21.331 6.261 1.00 5.15 H new ATOM 0 H3 CYS B 1 -6.534 -22.427 5.415 1.00 5.15 H new ATOM 0 HA CYS B 1 -4.249 -20.910 4.563 1.00 4.44 H new ATOM 0 HB2 CYS B 1 -4.738 -23.662 3.386 1.00 4.47 H new ATOM 0 HB3 CYS B 1 -3.438 -22.550 3.007 1.00 4.47 H new ATOM 0 HG CYS B 1 -2.358 -24.685 4.503 1.00 5.51 H new ATOM 540 N GLY B 2 -5.472 -20.636 2.283 1.00 3.11 N ATOM 541 CA GLY B 2 -6.366 -20.179 1.235 1.00 2.73 C ATOM 542 C GLY B 2 -6.299 -21.047 -0.005 1.00 2.20 C ATOM 543 O GLY B 2 -7.017 -22.040 -0.113 1.00 2.81 O ATOM 0 H GLY B 2 -4.493 -20.384 2.150 1.00 3.11 H new ATOM 0 HA2 GLY B 2 -7.388 -20.169 1.613 1.00 2.73 H new ATOM 0 HA3 GLY B 2 -6.114 -19.152 0.970 1.00 2.73 H new ATOM 547 N GLY B 3 -5.436 -20.669 -0.948 1.00 1.66 N ATOM 548 CA GLY B 3 -5.297 -21.429 -2.179 1.00 1.45 C ATOM 549 C GLY B 3 -6.639 -21.770 -2.796 1.00 1.30 C ATOM 550 O GLY B 3 -6.826 -22.862 -3.332 1.00 1.48 O ATOM 0 H GLY B 3 -4.831 -19.850 -0.880 1.00 1.66 H new ATOM 0 HA2 GLY B 3 -4.706 -20.856 -2.893 1.00 1.45 H new ATOM 0 HA3 GLY B 3 -4.748 -22.349 -1.976 1.00 1.45 H new ATOM 554 N ASP B 4 -7.577 -20.835 -2.705 1.00 1.06 N ATOM 555 CA ASP B 4 -8.916 -21.036 -3.240 1.00 1.10 C ATOM 556 C ASP B 4 -9.273 -19.947 -4.249 1.00 1.01 C ATOM 557 O ASP B 4 -9.105 -20.118 -5.456 1.00 1.22 O ATOM 558 CB ASP B 4 -9.930 -21.042 -2.095 1.00 1.23 C ATOM 559 CG ASP B 4 -9.861 -22.310 -1.267 1.00 1.84 C ATOM 560 OD1 ASP B 4 -9.604 -23.386 -1.848 1.00 2.34 O ATOM 561 OD2 ASP B 4 -10.066 -22.229 -0.037 1.00 2.59 O ATOM 0 H ASP B 4 -7.433 -19.927 -2.264 1.00 1.06 H new ATOM 0 HA ASP B 4 -8.942 -21.996 -3.756 1.00 1.10 H new ATOM 0 HB2 ASP B 4 -9.751 -20.181 -1.451 1.00 1.23 H new ATOM 0 HB3 ASP B 4 -10.935 -20.932 -2.503 1.00 1.23 H new ATOM 566 N ASN B 5 -9.761 -18.825 -3.735 1.00 0.92 N ATOM 567 CA ASN B 5 -10.143 -17.691 -4.563 1.00 1.02 C ATOM 568 C ASN B 5 -9.749 -16.398 -3.863 1.00 0.99 C ATOM 569 O ASN B 5 -9.179 -15.494 -4.474 1.00 1.39 O ATOM 570 CB ASN B 5 -11.649 -17.707 -4.837 1.00 1.19 C ATOM 571 CG ASN B 5 -11.980 -18.270 -6.205 1.00 1.61 C ATOM 572 OD1 ASN B 5 -12.748 -19.224 -6.327 1.00 2.22 O ATOM 573 ND2 ASN B 5 -11.399 -17.681 -7.244 1.00 1.86 N ATOM 0 H ASN B 5 -9.902 -18.677 -2.736 1.00 0.92 H new ATOM 0 HA ASN B 5 -9.623 -17.758 -5.519 1.00 1.02 H new ATOM 0 HB2 ASN B 5 -12.149 -18.301 -4.072 1.00 1.19 H new ATOM 0 HB3 ASN B 5 -12.041 -16.693 -4.760 1.00 1.19 H new ATOM 0 HD21 ASN B 5 -11.583 -18.017 -8.189 1.00 1.86 H new ATOM 0 HD22 ASN B 5 -10.769 -16.893 -7.097 1.00 1.86 H new ATOM 580 N ILE B 6 -10.039 -16.333 -2.568 1.00 0.68 N ATOM 581 CA ILE B 6 -9.696 -15.169 -1.768 1.00 0.63 C ATOM 582 C ILE B 6 -8.190 -14.991 -1.736 1.00 0.56 C ATOM 583 O ILE B 6 -7.671 -13.896 -1.959 1.00 0.53 O ATOM 584 CB ILE B 6 -10.200 -15.298 -0.317 1.00 0.67 C ATOM 585 CG1 ILE B 6 -11.612 -15.896 -0.282 1.00 0.87 C ATOM 586 CG2 ILE B 6 -10.163 -13.942 0.364 1.00 0.85 C ATOM 587 CD1 ILE B 6 -12.288 -15.789 1.070 1.00 1.57 C ATOM 0 H ILE B 6 -10.511 -17.075 -2.052 1.00 0.68 H new ATOM 0 HA ILE B 6 -10.179 -14.308 -2.230 1.00 0.63 H new ATOM 0 HB ILE B 6 -9.542 -15.977 0.226 1.00 0.67 H new ATOM 0 HG12 ILE B 6 -12.228 -15.393 -1.027 1.00 0.87 H new ATOM 0 HG13 ILE B 6 -11.559 -16.946 -0.569 1.00 0.87 H new ATOM 0 HG21 ILE B 6 -10.520 -14.040 1.389 1.00 0.85 H new ATOM 0 HG22 ILE B 6 -9.140 -13.566 0.371 1.00 0.85 H new ATOM 0 HG23 ILE B 6 -10.802 -13.245 -0.178 1.00 0.85 H new ATOM 0 HD11 ILE B 6 -13.282 -16.233 1.016 1.00 1.57 H new ATOM 0 HD12 ILE B 6 -11.695 -16.317 1.816 1.00 1.57 H new ATOM 0 HD13 ILE B 6 -12.374 -14.740 1.352 1.00 1.57 H new ATOM 599 N GLU B 7 -7.495 -16.086 -1.457 1.00 0.60 N ATOM 600 CA GLU B 7 -6.039 -16.076 -1.392 1.00 0.59 C ATOM 601 C GLU B 7 -5.438 -15.507 -2.673 1.00 0.57 C ATOM 602 O GLU B 7 -4.392 -14.859 -2.646 1.00 0.53 O ATOM 603 CB GLU B 7 -5.506 -17.488 -1.150 1.00 0.75 C ATOM 604 CG GLU B 7 -4.285 -17.523 -0.245 1.00 0.78 C ATOM 605 CD GLU B 7 -3.080 -18.156 -0.913 1.00 1.29 C ATOM 606 OE1 GLU B 7 -3.001 -18.113 -2.159 1.00 1.94 O ATOM 607 OE2 GLU B 7 -2.214 -18.692 -0.190 1.00 1.93 O ATOM 0 H GLU B 7 -7.918 -16.996 -1.271 1.00 0.60 H new ATOM 0 HA GLU B 7 -5.745 -15.437 -0.559 1.00 0.59 H new ATOM 0 HB2 GLU B 7 -6.295 -18.096 -0.707 1.00 0.75 H new ATOM 0 HB3 GLU B 7 -5.253 -17.942 -2.108 1.00 0.75 H new ATOM 0 HG2 GLU B 7 -4.034 -16.507 0.060 1.00 0.78 H new ATOM 0 HG3 GLU B 7 -4.526 -18.078 0.662 1.00 0.78 H new ATOM 614 N GLN B 8 -6.111 -15.745 -3.792 1.00 0.64 N ATOM 615 CA GLN B 8 -5.646 -15.244 -5.079 1.00 0.69 C ATOM 616 C GLN B 8 -6.005 -13.772 -5.234 1.00 0.63 C ATOM 617 O GLN B 8 -5.235 -12.985 -5.785 1.00 0.67 O ATOM 618 CB GLN B 8 -6.258 -16.056 -6.221 1.00 0.82 C ATOM 619 CG GLN B 8 -5.570 -15.840 -7.559 1.00 1.18 C ATOM 620 CD GLN B 8 -6.180 -16.674 -8.669 1.00 1.54 C ATOM 621 OE1 GLN B 8 -7.202 -17.332 -8.476 1.00 2.16 O ATOM 622 NE2 GLN B 8 -5.553 -16.649 -9.839 1.00 2.22 N ATOM 0 H GLN B 8 -6.978 -16.280 -3.834 1.00 0.64 H new ATOM 0 HA GLN B 8 -4.562 -15.348 -5.118 1.00 0.69 H new ATOM 0 HB2 GLN B 8 -6.214 -17.115 -5.966 1.00 0.82 H new ATOM 0 HB3 GLN B 8 -7.312 -15.794 -6.317 1.00 0.82 H new ATOM 0 HG2 GLN B 8 -5.629 -14.785 -7.828 1.00 1.18 H new ATOM 0 HG3 GLN B 8 -4.512 -16.086 -7.464 1.00 1.18 H new ATOM 0 HE21 GLN B 8 -4.708 -16.089 -9.953 1.00 2.22 H new ATOM 0 HE22 GLN B 8 -5.916 -17.190 -10.624 1.00 2.22 H new ATOM 631 N LYS B 9 -7.181 -13.408 -4.735 1.00 0.57 N ATOM 632 CA LYS B 9 -7.649 -12.032 -4.807 1.00 0.58 C ATOM 633 C LYS B 9 -6.719 -11.107 -4.032 1.00 0.50 C ATOM 634 O LYS B 9 -6.461 -9.977 -4.449 1.00 0.59 O ATOM 635 CB LYS B 9 -9.073 -11.923 -4.257 1.00 0.64 C ATOM 636 CG LYS B 9 -10.149 -12.072 -5.320 1.00 1.01 C ATOM 637 CD LYS B 9 -11.542 -11.965 -4.722 1.00 1.26 C ATOM 638 CE LYS B 9 -12.011 -10.520 -4.658 1.00 1.86 C ATOM 639 NZ LYS B 9 -12.402 -10.002 -5.998 1.00 2.37 N ATOM 0 H LYS B 9 -7.828 -14.049 -4.276 1.00 0.57 H new ATOM 0 HA LYS B 9 -7.651 -11.727 -5.854 1.00 0.58 H new ATOM 0 HB2 LYS B 9 -9.219 -12.688 -3.495 1.00 0.64 H new ATOM 0 HB3 LYS B 9 -9.191 -10.957 -3.766 1.00 0.64 H new ATOM 0 HG2 LYS B 9 -10.019 -11.303 -6.081 1.00 1.01 H new ATOM 0 HG3 LYS B 9 -10.039 -13.035 -5.818 1.00 1.01 H new ATOM 0 HD2 LYS B 9 -12.242 -12.550 -5.319 1.00 1.26 H new ATOM 0 HD3 LYS B 9 -11.543 -12.394 -3.720 1.00 1.26 H new ATOM 0 HE2 LYS B 9 -12.859 -10.444 -3.978 1.00 1.86 H new ATOM 0 HE3 LYS B 9 -11.216 -9.898 -4.247 1.00 1.86 H new ATOM 0 HZ1 LYS B 9 -12.917 -9.105 -5.887 1.00 2.37 H new ATOM 0 HZ2 LYS B 9 -11.549 -9.843 -6.571 1.00 2.37 H new ATOM 0 HZ3 LYS B 9 -13.014 -10.696 -6.473 1.00 2.37 H new ATOM 653 N ILE B 10 -6.214 -11.593 -2.902 1.00 0.41 N ATOM 654 CA ILE B 10 -5.309 -10.802 -2.078 1.00 0.38 C ATOM 655 C ILE B 10 -3.953 -10.645 -2.749 1.00 0.36 C ATOM 656 O ILE B 10 -3.386 -9.555 -2.760 1.00 0.37 O ATOM 657 CB ILE B 10 -5.100 -11.412 -0.682 1.00 0.42 C ATOM 658 CG1 ILE B 10 -4.776 -12.903 -0.770 1.00 0.41 C ATOM 659 CG2 ILE B 10 -6.324 -11.179 0.188 1.00 0.54 C ATOM 660 CD1 ILE B 10 -4.390 -13.514 0.559 1.00 1.11 C ATOM 0 H ILE B 10 -6.415 -12.525 -2.539 1.00 0.41 H new ATOM 0 HA ILE B 10 -5.783 -9.827 -1.963 1.00 0.38 H new ATOM 0 HB ILE B 10 -4.246 -10.914 -0.222 1.00 0.42 H new ATOM 0 HG12 ILE B 10 -5.642 -13.433 -1.167 1.00 0.41 H new ATOM 0 HG13 ILE B 10 -3.961 -13.049 -1.479 1.00 0.41 H new ATOM 0 HG21 ILE B 10 -6.159 -11.617 1.172 1.00 0.54 H new ATOM 0 HG22 ILE B 10 -6.498 -10.108 0.292 1.00 0.54 H new ATOM 0 HG23 ILE B 10 -7.194 -11.645 -0.275 1.00 0.54 H new ATOM 0 HD11 ILE B 10 -4.173 -14.574 0.423 1.00 1.11 H new ATOM 0 HD12 ILE B 10 -3.505 -13.010 0.948 1.00 1.11 H new ATOM 0 HD13 ILE B 10 -5.213 -13.399 1.265 1.00 1.11 H new ATOM 672 N ASP B 11 -3.437 -11.733 -3.317 1.00 0.39 N ATOM 673 CA ASP B 11 -2.147 -11.691 -3.997 1.00 0.47 C ATOM 674 C ASP B 11 -2.117 -10.525 -4.974 1.00 0.48 C ATOM 675 O ASP B 11 -1.089 -9.870 -5.163 1.00 0.52 O ATOM 676 CB ASP B 11 -1.888 -13.006 -4.737 1.00 0.58 C ATOM 677 CG ASP B 11 -0.429 -13.413 -4.697 1.00 0.84 C ATOM 678 OD1 ASP B 11 0.052 -13.793 -3.608 1.00 1.51 O ATOM 679 OD2 ASP B 11 0.234 -13.353 -5.754 1.00 1.45 O ATOM 0 H ASP B 11 -3.889 -12.647 -3.320 1.00 0.39 H new ATOM 0 HA ASP B 11 -1.362 -11.554 -3.253 1.00 0.47 H new ATOM 0 HB2 ASP B 11 -2.495 -13.795 -4.293 1.00 0.58 H new ATOM 0 HB3 ASP B 11 -2.206 -12.905 -5.775 1.00 0.58 H new ATOM 684 N ASP B 12 -3.273 -10.254 -5.569 1.00 0.48 N ATOM 685 CA ASP B 12 -3.403 -9.151 -6.506 1.00 0.53 C ATOM 686 C ASP B 12 -3.225 -7.839 -5.761 1.00 0.49 C ATOM 687 O ASP B 12 -2.492 -6.951 -6.197 1.00 0.54 O ATOM 688 CB ASP B 12 -4.768 -9.188 -7.195 1.00 0.60 C ATOM 689 CG ASP B 12 -4.695 -8.747 -8.644 1.00 0.75 C ATOM 690 OD1 ASP B 12 -3.651 -8.989 -9.287 1.00 1.32 O ATOM 691 OD2 ASP B 12 -5.681 -8.160 -9.136 1.00 1.44 O ATOM 0 H ASP B 12 -4.131 -10.784 -5.418 1.00 0.48 H new ATOM 0 HA ASP B 12 -2.634 -9.241 -7.273 1.00 0.53 H new ATOM 0 HB2 ASP B 12 -5.170 -10.200 -7.146 1.00 0.60 H new ATOM 0 HB3 ASP B 12 -5.462 -8.543 -6.656 1.00 0.60 H new ATOM 696 N ILE B 13 -3.889 -7.738 -4.615 1.00 0.43 N ATOM 697 CA ILE B 13 -3.796 -6.552 -3.784 1.00 0.44 C ATOM 698 C ILE B 13 -2.357 -6.333 -3.340 1.00 0.42 C ATOM 699 O ILE B 13 -1.831 -5.231 -3.440 1.00 0.45 O ATOM 700 CB ILE B 13 -4.699 -6.660 -2.540 1.00 0.43 C ATOM 701 CG1 ILE B 13 -6.122 -7.052 -2.946 1.00 0.46 C ATOM 702 CG2 ILE B 13 -4.700 -5.348 -1.768 1.00 0.55 C ATOM 703 CD1 ILE B 13 -7.099 -7.078 -1.791 1.00 0.50 C ATOM 0 H ILE B 13 -4.498 -8.467 -4.243 1.00 0.43 H new ATOM 0 HA ILE B 13 -4.132 -5.706 -4.383 1.00 0.44 H new ATOM 0 HB ILE B 13 -4.302 -7.439 -1.889 1.00 0.43 H new ATOM 0 HG12 ILE B 13 -6.482 -6.351 -3.699 1.00 0.46 H new ATOM 0 HG13 ILE B 13 -6.099 -8.037 -3.413 1.00 0.46 H new ATOM 0 HG21 ILE B 13 -5.343 -5.441 -0.893 1.00 0.55 H new ATOM 0 HG22 ILE B 13 -3.685 -5.113 -1.449 1.00 0.55 H new ATOM 0 HG23 ILE B 13 -5.074 -4.549 -2.409 1.00 0.55 H new ATOM 0 HD11 ILE B 13 -8.086 -7.364 -2.155 1.00 0.50 H new ATOM 0 HD12 ILE B 13 -6.764 -7.801 -1.047 1.00 0.50 H new ATOM 0 HD13 ILE B 13 -7.152 -6.088 -1.337 1.00 0.50 H new ATOM 715 N ASP B 14 -1.720 -7.400 -2.858 1.00 0.40 N ATOM 716 CA ASP B 14 -0.333 -7.327 -2.405 1.00 0.43 C ATOM 717 C ASP B 14 0.543 -6.629 -3.439 1.00 0.46 C ATOM 718 O ASP B 14 1.513 -5.953 -3.093 1.00 0.48 O ATOM 719 CB ASP B 14 0.209 -8.731 -2.127 1.00 0.44 C ATOM 720 CG ASP B 14 1.249 -8.741 -1.025 1.00 0.51 C ATOM 721 OD1 ASP B 14 1.089 -7.977 -0.049 1.00 1.13 O ATOM 722 OD2 ASP B 14 2.224 -9.514 -1.135 1.00 1.32 O ATOM 0 H ASP B 14 -2.143 -8.324 -2.772 1.00 0.40 H new ATOM 0 HA ASP B 14 -0.309 -6.745 -1.484 1.00 0.43 H new ATOM 0 HB2 ASP B 14 -0.616 -9.388 -1.850 1.00 0.44 H new ATOM 0 HB3 ASP B 14 0.647 -9.136 -3.040 1.00 0.44 H new ATOM 727 N HIS B 15 0.190 -6.789 -4.710 1.00 0.47 N ATOM 728 CA HIS B 15 0.941 -6.165 -5.790 1.00 0.52 C ATOM 729 C HIS B 15 0.613 -4.680 -5.874 1.00 0.53 C ATOM 730 O HIS B 15 1.439 -3.871 -6.299 1.00 0.56 O ATOM 731 CB HIS B 15 0.621 -6.845 -7.121 1.00 0.56 C ATOM 732 CG HIS B 15 1.683 -6.661 -8.159 1.00 0.76 C ATOM 733 ND1 HIS B 15 2.837 -5.939 -7.936 1.00 0.92 N ATOM 734 CD2 HIS B 15 1.763 -7.111 -9.435 1.00 1.01 C ATOM 735 CE1 HIS B 15 3.579 -5.952 -9.028 1.00 1.12 C ATOM 736 NE2 HIS B 15 2.951 -6.656 -9.952 1.00 1.19 N ATOM 0 H HIS B 15 -0.609 -7.344 -5.016 1.00 0.47 H new ATOM 0 HA HIS B 15 2.005 -6.280 -5.582 1.00 0.52 H new ATOM 0 HB2 HIS B 15 0.474 -7.911 -6.949 1.00 0.56 H new ATOM 0 HB3 HIS B 15 -0.321 -6.451 -7.503 1.00 0.56 H new ATOM 0 HD2 HIS B 15 1.030 -7.715 -9.949 1.00 1.01 H new ATOM 0 HE1 HIS B 15 4.538 -5.469 -9.146 1.00 1.12 H new ATOM 0 HE2 HIS B 15 3.293 -6.833 -10.897 1.00 1.19 H new ATOM 745 N GLU B 16 -0.601 -4.329 -5.466 1.00 0.52 N ATOM 746 CA GLU B 16 -1.045 -2.944 -5.496 1.00 0.56 C ATOM 747 C GLU B 16 -0.601 -2.200 -4.241 1.00 0.57 C ATOM 748 O GLU B 16 -0.291 -1.011 -4.289 1.00 0.64 O ATOM 749 CB GLU B 16 -2.568 -2.878 -5.630 1.00 0.58 C ATOM 750 CG GLU B 16 -3.130 -3.864 -6.642 1.00 0.59 C ATOM 751 CD GLU B 16 -4.619 -4.092 -6.467 1.00 1.29 C ATOM 752 OE1 GLU B 16 -5.116 -3.932 -5.333 1.00 2.03 O ATOM 753 OE2 GLU B 16 -5.288 -4.431 -7.466 1.00 1.99 O ATOM 0 H GLU B 16 -1.295 -4.987 -5.110 1.00 0.52 H new ATOM 0 HA GLU B 16 -0.589 -2.462 -6.361 1.00 0.56 H new ATOM 0 HB2 GLU B 16 -3.019 -3.071 -4.657 1.00 0.58 H new ATOM 0 HB3 GLU B 16 -2.856 -1.868 -5.920 1.00 0.58 H new ATOM 0 HG2 GLU B 16 -2.938 -3.494 -7.649 1.00 0.59 H new ATOM 0 HG3 GLU B 16 -2.607 -4.815 -6.547 1.00 0.59 H new ATOM 760 N ILE B 17 -0.568 -2.913 -3.121 1.00 0.53 N ATOM 761 CA ILE B 17 -0.160 -2.329 -1.849 1.00 0.57 C ATOM 762 C ILE B 17 1.301 -1.895 -1.899 1.00 0.57 C ATOM 763 O ILE B 17 1.687 -0.888 -1.303 1.00 0.61 O ATOM 764 CB ILE B 17 -0.342 -3.331 -0.691 1.00 0.58 C ATOM 765 CG1 ILE B 17 -1.742 -3.945 -0.729 1.00 0.58 C ATOM 766 CG2 ILE B 17 -0.098 -2.648 0.647 1.00 0.66 C ATOM 767 CD1 ILE B 17 -1.812 -5.330 -0.126 1.00 1.06 C ATOM 0 H ILE B 17 -0.820 -3.900 -3.068 1.00 0.53 H new ATOM 0 HA ILE B 17 -0.795 -1.461 -1.674 1.00 0.57 H new ATOM 0 HB ILE B 17 0.389 -4.131 -0.810 1.00 0.58 H new ATOM 0 HG12 ILE B 17 -2.431 -3.290 -0.196 1.00 0.58 H new ATOM 0 HG13 ILE B 17 -2.082 -3.991 -1.764 1.00 0.58 H new ATOM 0 HG21 ILE B 17 -0.231 -3.369 1.453 1.00 0.66 H new ATOM 0 HG22 ILE B 17 0.918 -2.255 0.675 1.00 0.66 H new ATOM 0 HG23 ILE B 17 -0.807 -1.829 0.772 1.00 0.66 H new ATOM 0 HD11 ILE B 17 -2.835 -5.702 -0.188 1.00 1.06 H new ATOM 0 HD12 ILE B 17 -1.148 -5.999 -0.674 1.00 1.06 H new ATOM 0 HD13 ILE B 17 -1.504 -5.288 0.919 1.00 1.06 H new ATOM 779 N ALA B 18 2.108 -2.670 -2.617 1.00 0.53 N ATOM 780 CA ALA B 18 3.529 -2.383 -2.755 1.00 0.55 C ATOM 781 C ALA B 18 3.772 -1.276 -3.773 1.00 0.55 C ATOM 782 O ALA B 18 4.677 -0.457 -3.609 1.00 0.57 O ATOM 783 CB ALA B 18 4.281 -3.644 -3.153 1.00 0.58 C ATOM 0 H ALA B 18 1.799 -3.505 -3.114 1.00 0.53 H new ATOM 0 HA ALA B 18 3.901 -2.037 -1.790 1.00 0.55 H new ATOM 0 HB1 ALA B 18 5.343 -3.418 -3.253 1.00 0.58 H new ATOM 0 HB2 ALA B 18 4.143 -4.407 -2.387 1.00 0.58 H new ATOM 0 HB3 ALA B 18 3.897 -4.012 -4.104 1.00 0.58 H new ATOM 789 N ASP B 19 2.958 -1.253 -4.824 1.00 0.55 N ATOM 790 CA ASP B 19 3.088 -0.241 -5.865 1.00 0.57 C ATOM 791 C ASP B 19 3.038 1.160 -5.265 1.00 0.55 C ATOM 792 O ASP B 19 3.881 2.007 -5.564 1.00 0.57 O ATOM 793 CB ASP B 19 1.978 -0.403 -6.906 1.00 0.61 C ATOM 794 CG ASP B 19 2.262 0.369 -8.180 1.00 0.93 C ATOM 795 OD1 ASP B 19 3.206 -0.010 -8.905 1.00 1.57 O ATOM 796 OD2 ASP B 19 1.542 1.351 -8.452 1.00 1.58 O ATOM 0 H ASP B 19 2.203 -1.922 -4.977 1.00 0.55 H new ATOM 0 HA ASP B 19 4.054 -0.376 -6.352 1.00 0.57 H new ATOM 0 HB2 ASP B 19 1.859 -1.460 -7.144 1.00 0.61 H new ATOM 0 HB3 ASP B 19 1.033 -0.063 -6.482 1.00 0.61 H new ATOM 801 N LEU B 20 2.047 1.394 -4.413 1.00 0.52 N ATOM 802 CA LEU B 20 1.888 2.690 -3.765 1.00 0.52 C ATOM 803 C LEU B 20 3.085 3.002 -2.876 1.00 0.50 C ATOM 804 O LEU B 20 3.683 4.072 -2.977 1.00 0.50 O ATOM 805 CB LEU B 20 0.603 2.721 -2.936 1.00 0.57 C ATOM 806 CG LEU B 20 -0.622 2.099 -3.605 1.00 0.58 C ATOM 807 CD1 LEU B 20 -1.880 2.443 -2.824 1.00 0.63 C ATOM 808 CD2 LEU B 20 -0.747 2.570 -5.047 1.00 0.62 C ATOM 0 H LEU B 20 1.342 0.704 -4.155 1.00 0.52 H new ATOM 0 HA LEU B 20 1.825 3.450 -4.544 1.00 0.52 H new ATOM 0 HB2 LEU B 20 0.785 2.202 -1.995 1.00 0.57 H new ATOM 0 HB3 LEU B 20 0.374 3.758 -2.689 1.00 0.57 H new ATOM 0 HG LEU B 20 -0.498 1.016 -3.610 1.00 0.58 H new ATOM 0 HD11 LEU B 20 -2.745 1.994 -3.312 1.00 0.63 H new ATOM 0 HD12 LEU B 20 -1.795 2.057 -1.808 1.00 0.63 H new ATOM 0 HD13 LEU B 20 -2.003 3.525 -2.791 1.00 0.63 H new ATOM 0 HD21 LEU B 20 -1.626 2.115 -5.504 1.00 0.62 H new ATOM 0 HD22 LEU B 20 -0.848 3.655 -5.068 1.00 0.62 H new ATOM 0 HD23 LEU B 20 0.143 2.278 -5.604 1.00 0.62 H new ATOM 820 N GLN B 21 3.429 2.059 -2.001 1.00 0.51 N ATOM 821 CA GLN B 21 4.557 2.237 -1.090 1.00 0.52 C ATOM 822 C GLN B 21 5.794 2.721 -1.841 1.00 0.51 C ATOM 823 O GLN B 21 6.616 3.456 -1.295 1.00 0.51 O ATOM 824 CB GLN B 21 4.865 0.926 -0.365 1.00 0.56 C ATOM 825 CG GLN B 21 5.393 1.121 1.046 1.00 0.88 C ATOM 826 CD GLN B 21 6.239 -0.045 1.519 1.00 1.31 C ATOM 827 OE1 GLN B 21 5.883 -1.206 1.318 1.00 1.98 O ATOM 828 NE2 GLN B 21 7.366 0.260 2.151 1.00 1.93 N ATOM 0 H GLN B 21 2.944 1.167 -1.904 1.00 0.51 H new ATOM 0 HA GLN B 21 4.283 2.994 -0.356 1.00 0.52 H new ATOM 0 HB2 GLN B 21 3.959 0.321 -0.325 1.00 0.56 H new ATOM 0 HB3 GLN B 21 5.598 0.364 -0.944 1.00 0.56 H new ATOM 0 HG2 GLN B 21 5.986 2.035 1.085 1.00 0.88 H new ATOM 0 HG3 GLN B 21 4.554 1.257 1.728 1.00 0.88 H new ATOM 0 HE21 GLN B 21 7.621 1.237 2.295 1.00 1.93 H new ATOM 0 HE22 GLN B 21 7.976 -0.483 2.492 1.00 1.93 H new ATOM 837 N ALA B 22 5.915 2.307 -3.098 1.00 0.52 N ATOM 838 CA ALA B 22 7.046 2.704 -3.926 1.00 0.55 C ATOM 839 C ALA B 22 6.918 4.161 -4.354 1.00 0.54 C ATOM 840 O ALA B 22 7.916 4.864 -4.505 1.00 0.62 O ATOM 841 CB ALA B 22 7.153 1.799 -5.144 1.00 0.60 C ATOM 0 H ALA B 22 5.244 1.697 -3.565 1.00 0.52 H new ATOM 0 HA ALA B 22 7.956 2.602 -3.335 1.00 0.55 H new ATOM 0 HB1 ALA B 22 8.003 2.108 -5.753 1.00 0.60 H new ATOM 0 HB2 ALA B 22 7.295 0.768 -4.820 1.00 0.60 H new ATOM 0 HB3 ALA B 22 6.239 1.872 -5.733 1.00 0.60 H new ATOM 847 N LYS B 23 5.680 4.606 -4.548 1.00 0.54 N ATOM 848 CA LYS B 23 5.420 5.982 -4.957 1.00 0.55 C ATOM 849 C LYS B 23 5.810 6.965 -3.858 1.00 0.49 C ATOM 850 O LYS B 23 6.239 8.084 -4.137 1.00 0.55 O ATOM 851 CB LYS B 23 3.942 6.163 -5.313 1.00 0.59 C ATOM 852 CG LYS B 23 3.381 5.053 -6.188 1.00 0.69 C ATOM 853 CD LYS B 23 4.233 4.831 -7.427 1.00 0.76 C ATOM 854 CE LYS B 23 3.646 3.750 -8.319 1.00 0.96 C ATOM 855 NZ LYS B 23 4.001 3.957 -9.750 1.00 1.43 N ATOM 0 H LYS B 23 4.843 4.035 -4.429 1.00 0.54 H new ATOM 0 HA LYS B 23 6.029 6.189 -5.837 1.00 0.55 H new ATOM 0 HB2 LYS B 23 3.360 6.217 -4.393 1.00 0.59 H new ATOM 0 HB3 LYS B 23 3.816 7.116 -5.826 1.00 0.59 H new ATOM 0 HG2 LYS B 23 3.326 4.129 -5.613 1.00 0.69 H new ATOM 0 HG3 LYS B 23 2.363 5.304 -6.486 1.00 0.69 H new ATOM 0 HD2 LYS B 23 4.313 5.763 -7.987 1.00 0.76 H new ATOM 0 HD3 LYS B 23 5.243 4.550 -7.130 1.00 0.76 H new ATOM 0 HE2 LYS B 23 4.007 2.775 -7.993 1.00 0.96 H new ATOM 0 HE3 LYS B 23 2.561 3.740 -8.212 1.00 0.96 H new ATOM 0 HZ1 LYS B 23 3.582 3.199 -10.325 1.00 1.43 H new ATOM 0 HZ2 LYS B 23 3.635 4.876 -10.069 1.00 1.43 H new ATOM 0 HZ3 LYS B 23 5.035 3.941 -9.857 1.00 1.43 H new ATOM 869 N ARG B 24 5.658 6.542 -2.607 1.00 0.45 N ATOM 870 CA ARG B 24 5.994 7.393 -1.470 1.00 0.47 C ATOM 871 C ARG B 24 7.505 7.544 -1.321 1.00 0.52 C ATOM 872 O ARG B 24 8.012 8.650 -1.139 1.00 0.60 O ATOM 873 CB ARG B 24 5.399 6.818 -0.183 1.00 0.55 C ATOM 874 CG ARG B 24 4.164 7.561 0.297 1.00 1.05 C ATOM 875 CD ARG B 24 3.936 7.363 1.787 1.00 1.09 C ATOM 876 NE ARG B 24 4.043 8.617 2.530 1.00 1.29 N ATOM 877 CZ ARG B 24 4.382 8.695 3.815 1.00 1.81 C ATOM 878 NH1 ARG B 24 4.640 7.594 4.511 1.00 2.28 N ATOM 879 NH2 ARG B 24 4.460 9.878 4.408 1.00 2.12 N ATOM 0 H ARG B 24 5.306 5.619 -2.355 1.00 0.45 H new ATOM 0 HA ARG B 24 5.568 8.380 -1.653 1.00 0.47 H new ATOM 0 HB2 ARG B 24 5.143 5.771 -0.346 1.00 0.55 H new ATOM 0 HB3 ARG B 24 6.156 6.843 0.601 1.00 0.55 H new ATOM 0 HG2 ARG B 24 4.272 8.624 0.083 1.00 1.05 H new ATOM 0 HG3 ARG B 24 3.291 7.212 -0.255 1.00 1.05 H new ATOM 0 HD2 ARG B 24 2.949 6.930 1.948 1.00 1.09 H new ATOM 0 HD3 ARG B 24 4.664 6.650 2.173 1.00 1.09 H new ATOM 0 HE ARG B 24 3.846 9.486 2.033 1.00 1.29 H new ATOM 0 HH11 ARG B 24 4.579 6.680 4.061 1.00 2.28 H new ATOM 0 HH12 ARG B 24 4.899 7.662 5.495 1.00 2.28 H new ATOM 0 HH21 ARG B 24 4.260 10.727 3.880 1.00 2.12 H new ATOM 0 HH22 ARG B 24 4.720 9.939 5.393 1.00 2.12 H new ATOM 893 N THR B 25 8.217 6.425 -1.396 1.00 0.52 N ATOM 894 CA THR B 25 9.671 6.431 -1.263 1.00 0.60 C ATOM 895 C THR B 25 10.316 7.306 -2.330 1.00 0.61 C ATOM 896 O THR B 25 11.110 8.196 -2.022 1.00 0.67 O ATOM 897 CB THR B 25 10.218 5.010 -1.369 1.00 0.64 C ATOM 898 OG1 THR B 25 9.210 4.059 -1.074 1.00 0.70 O ATOM 899 CG2 THR B 25 11.385 4.747 -0.443 1.00 0.75 C ATOM 0 H THR B 25 7.812 5.501 -1.548 1.00 0.52 H new ATOM 0 HA THR B 25 9.915 6.841 -0.283 1.00 0.60 H new ATOM 0 HB THR B 25 10.563 4.911 -2.398 1.00 0.64 H new ATOM 0 HG1 THR B 25 9.581 3.155 -1.149 1.00 0.70 H new ATOM 0 HG21 THR B 25 11.725 3.719 -0.569 1.00 0.75 H new ATOM 0 HG22 THR B 25 12.200 5.431 -0.681 1.00 0.75 H new ATOM 0 HG23 THR B 25 11.072 4.902 0.590 1.00 0.75 H new ATOM 907 N ARG B 26 9.972 7.047 -3.588 1.00 0.61 N ATOM 908 CA ARG B 26 10.521 7.810 -4.703 1.00 0.68 C ATOM 909 C ARG B 26 10.344 9.304 -4.467 1.00 0.64 C ATOM 910 O ARG B 26 11.269 10.093 -4.669 1.00 0.71 O ATOM 911 CB ARG B 26 9.846 7.399 -6.013 1.00 0.72 C ATOM 912 CG ARG B 26 8.344 7.628 -6.024 1.00 0.67 C ATOM 913 CD ARG B 26 7.725 7.199 -7.344 1.00 1.10 C ATOM 914 NE ARG B 26 6.434 7.844 -7.578 1.00 1.56 N ATOM 915 CZ ARG B 26 6.294 9.128 -7.898 1.00 2.14 C ATOM 916 NH1 ARG B 26 7.360 9.908 -8.024 1.00 2.60 N ATOM 917 NH2 ARG B 26 5.084 9.634 -8.092 1.00 2.89 N ATOM 0 H ARG B 26 9.316 6.315 -3.860 1.00 0.61 H new ATOM 0 HA ARG B 26 11.587 7.594 -4.775 1.00 0.68 H new ATOM 0 HB2 ARG B 26 10.296 7.957 -6.834 1.00 0.72 H new ATOM 0 HB3 ARG B 26 10.045 6.344 -6.199 1.00 0.72 H new ATOM 0 HG2 ARG B 26 7.884 7.072 -5.207 1.00 0.67 H new ATOM 0 HG3 ARG B 26 8.134 8.683 -5.849 1.00 0.67 H new ATOM 0 HD2 ARG B 26 8.405 7.443 -8.160 1.00 1.10 H new ATOM 0 HD3 ARG B 26 7.596 6.117 -7.349 1.00 1.10 H new ATOM 0 HE ARG B 26 5.591 7.276 -7.491 1.00 1.56 H new ATOM 0 HH11 ARG B 26 8.293 9.524 -7.875 1.00 2.60 H new ATOM 0 HH12 ARG B 26 7.246 10.891 -8.270 1.00 2.60 H new ATOM 0 HH21 ARG B 26 4.261 9.039 -7.996 1.00 2.89 H new ATOM 0 HH22 ARG B 26 4.976 10.618 -8.337 1.00 2.89 H new ATOM 931 N LEU B 27 9.153 9.686 -4.023 1.00 0.57 N ATOM 932 CA LEU B 27 8.862 11.084 -3.744 1.00 0.55 C ATOM 933 C LEU B 27 9.746 11.592 -2.614 1.00 0.56 C ATOM 934 O LEU B 27 10.164 12.749 -2.613 1.00 0.61 O ATOM 935 CB LEU B 27 7.387 11.263 -3.382 1.00 0.51 C ATOM 936 CG LEU B 27 6.460 11.547 -4.568 1.00 0.60 C ATOM 937 CD1 LEU B 27 5.261 10.611 -4.552 1.00 1.38 C ATOM 938 CD2 LEU B 27 6.005 13.000 -4.554 1.00 1.34 C ATOM 0 H LEU B 27 8.376 9.048 -3.849 1.00 0.57 H new ATOM 0 HA LEU B 27 9.071 11.666 -4.642 1.00 0.55 H new ATOM 0 HB2 LEU B 27 7.040 10.362 -2.877 1.00 0.51 H new ATOM 0 HB3 LEU B 27 7.300 12.082 -2.668 1.00 0.51 H new ATOM 0 HG LEU B 27 7.018 11.369 -5.487 1.00 0.60 H new ATOM 0 HD11 LEU B 27 4.616 10.831 -5.403 1.00 1.38 H new ATOM 0 HD12 LEU B 27 5.605 9.578 -4.614 1.00 1.38 H new ATOM 0 HD13 LEU B 27 4.702 10.752 -3.627 1.00 1.38 H new ATOM 0 HD21 LEU B 27 5.347 13.184 -5.404 1.00 1.34 H new ATOM 0 HD22 LEU B 27 5.467 13.204 -3.628 1.00 1.34 H new ATOM 0 HD23 LEU B 27 6.874 13.654 -4.620 1.00 1.34 H new ATOM 950 N VAL B 28 10.044 10.714 -1.658 1.00 0.57 N ATOM 951 CA VAL B 28 10.895 11.083 -0.535 1.00 0.63 C ATOM 952 C VAL B 28 12.300 11.397 -1.022 1.00 0.73 C ATOM 953 O VAL B 28 12.888 12.412 -0.648 1.00 0.79 O ATOM 954 CB VAL B 28 10.968 9.965 0.519 1.00 0.66 C ATOM 955 CG1 VAL B 28 11.760 10.424 1.734 1.00 0.77 C ATOM 956 CG2 VAL B 28 9.570 9.514 0.923 1.00 0.63 C ATOM 0 H VAL B 28 9.711 9.750 -1.640 1.00 0.57 H new ATOM 0 HA VAL B 28 10.453 11.965 -0.072 1.00 0.63 H new ATOM 0 HB VAL B 28 11.485 9.113 0.078 1.00 0.66 H new ATOM 0 HG11 VAL B 28 11.800 9.619 2.468 1.00 0.77 H new ATOM 0 HG12 VAL B 28 12.773 10.688 1.430 1.00 0.77 H new ATOM 0 HG13 VAL B 28 11.276 11.294 2.177 1.00 0.77 H new ATOM 0 HG21 VAL B 28 9.644 8.723 1.669 1.00 0.63 H new ATOM 0 HG22 VAL B 28 9.022 10.358 1.342 1.00 0.63 H new ATOM 0 HG23 VAL B 28 9.042 9.138 0.047 1.00 0.63 H new ATOM 966 N GLN B 29 12.827 10.524 -1.875 1.00 0.80 N ATOM 967 CA GLN B 29 14.159 10.714 -2.435 1.00 0.92 C ATOM 968 C GLN B 29 14.271 12.103 -3.048 1.00 0.94 C ATOM 969 O GLN B 29 15.344 12.706 -3.065 1.00 1.02 O ATOM 970 CB GLN B 29 14.453 9.646 -3.492 1.00 1.05 C ATOM 971 CG GLN B 29 15.248 8.465 -2.960 1.00 1.34 C ATOM 972 CD GLN B 29 14.369 7.418 -2.304 1.00 1.63 C ATOM 973 OE1 GLN B 29 14.095 7.483 -1.106 1.00 2.33 O ATOM 974 NE2 GLN B 29 13.922 6.445 -3.090 1.00 1.99 N ATOM 0 H GLN B 29 12.352 9.679 -2.193 1.00 0.80 H new ATOM 0 HA GLN B 29 14.892 10.619 -1.634 1.00 0.92 H new ATOM 0 HB2 GLN B 29 13.510 9.283 -3.902 1.00 1.05 H new ATOM 0 HB3 GLN B 29 15.003 10.103 -4.314 1.00 1.05 H new ATOM 0 HG2 GLN B 29 15.803 8.007 -3.779 1.00 1.34 H new ATOM 0 HG3 GLN B 29 15.982 8.822 -2.238 1.00 1.34 H new ATOM 0 HE21 GLN B 29 14.175 6.431 -4.078 1.00 1.99 H new ATOM 0 HE22 GLN B 29 13.326 5.712 -2.705 1.00 1.99 H new ATOM 983 N GLN B 30 13.142 12.610 -3.537 1.00 0.93 N ATOM 984 CA GLN B 30 13.095 13.935 -4.135 1.00 1.05 C ATOM 985 C GLN B 30 13.187 15.008 -3.055 1.00 1.03 C ATOM 986 O GLN B 30 13.714 16.096 -3.290 1.00 1.16 O ATOM 987 CB GLN B 30 11.806 14.111 -4.939 1.00 1.14 C ATOM 988 CG GLN B 30 11.937 15.089 -6.094 1.00 1.56 C ATOM 989 CD GLN B 30 10.928 14.828 -7.196 1.00 1.85 C ATOM 990 OE1 GLN B 30 10.696 13.683 -7.584 1.00 2.32 O ATOM 991 NE2 GLN B 30 10.321 15.894 -7.707 1.00 2.39 N ATOM 0 H GLN B 30 12.248 12.120 -3.529 1.00 0.93 H new ATOM 0 HA GLN B 30 13.946 14.040 -4.808 1.00 1.05 H new ATOM 0 HB2 GLN B 30 11.496 13.141 -5.329 1.00 1.14 H new ATOM 0 HB3 GLN B 30 11.016 14.454 -4.271 1.00 1.14 H new ATOM 0 HG2 GLN B 30 11.808 16.105 -5.721 1.00 1.56 H new ATOM 0 HG3 GLN B 30 12.944 15.026 -6.506 1.00 1.56 H new ATOM 0 HE21 GLN B 30 10.544 16.825 -7.355 1.00 2.39 H new ATOM 0 HE22 GLN B 30 9.632 15.781 -8.451 1.00 2.39 H new ATOM 1000 N HIS B 31 12.675 14.692 -1.866 1.00 0.92 N ATOM 1001 CA HIS B 31 12.708 15.633 -0.750 1.00 1.01 C ATOM 1002 C HIS B 31 12.906 14.902 0.577 1.00 1.11 C ATOM 1003 O HIS B 31 12.032 14.917 1.444 1.00 1.33 O ATOM 1004 CB HIS B 31 11.424 16.467 -0.708 1.00 1.26 C ATOM 1005 CG HIS B 31 10.194 15.669 -0.413 1.00 1.85 C ATOM 1006 ND1 HIS B 31 9.564 14.888 -1.355 1.00 1.98 N ATOM 1007 CD2 HIS B 31 9.469 15.539 0.724 1.00 2.73 C ATOM 1008 CE1 HIS B 31 8.505 14.315 -0.814 1.00 2.71 C ATOM 1009 NE2 HIS B 31 8.426 14.692 0.448 1.00 3.18 N ATOM 0 H HIS B 31 12.235 13.797 -1.653 1.00 0.92 H new ATOM 0 HA HIS B 31 13.555 16.303 -0.902 1.00 1.01 H new ATOM 0 HB2 HIS B 31 11.531 17.244 0.049 1.00 1.26 H new ATOM 0 HB3 HIS B 31 11.298 16.971 -1.666 1.00 1.26 H new ATOM 0 HD1 HIS B 31 9.868 14.770 -2.321 1.00 1.98 H new ATOM 0 HD2 HIS B 31 9.674 16.014 1.672 1.00 2.73 H new ATOM 0 HE1 HIS B 31 7.820 13.650 -1.319 1.00 2.71 H new ATOM 1018 N PRO B 32 14.068 14.248 0.755 1.00 1.38 N ATOM 1019 CA PRO B 32 14.378 13.510 1.983 1.00 1.79 C ATOM 1020 C PRO B 32 14.678 14.436 3.156 1.00 1.86 C ATOM 1021 O PRO B 32 14.437 14.087 4.313 1.00 2.31 O ATOM 1022 CB PRO B 32 15.624 12.707 1.605 1.00 2.24 C ATOM 1023 CG PRO B 32 16.281 13.512 0.539 1.00 2.17 C ATOM 1024 CD PRO B 32 15.167 14.178 -0.226 1.00 1.64 C ATOM 0 HA PRO B 32 13.540 12.896 2.313 1.00 1.79 H new ATOM 0 HB2 PRO B 32 16.283 12.571 2.462 1.00 2.24 H new ATOM 0 HB3 PRO B 32 15.360 11.712 1.245 1.00 2.24 H new ATOM 0 HG2 PRO B 32 16.956 14.252 0.969 1.00 2.17 H new ATOM 0 HG3 PRO B 32 16.879 12.878 -0.116 1.00 2.17 H new ATOM 0 HD2 PRO B 32 15.457 15.169 -0.575 1.00 1.64 H new ATOM 0 HD3 PRO B 32 14.883 13.600 -1.106 1.00 1.64 H new ATOM 1032 N ARG B 33 15.204 15.617 2.852 1.00 2.06 N ATOM 1033 CA ARG B 33 15.536 16.595 3.882 1.00 2.26 C ATOM 1034 C ARG B 33 14.327 17.459 4.222 1.00 3.01 C ATOM 1035 O ARG B 33 14.338 18.092 5.299 1.00 3.62 O ATOM 1036 CB ARG B 33 16.696 17.480 3.420 1.00 2.19 C ATOM 1037 CG ARG B 33 18.050 16.790 3.483 1.00 2.87 C ATOM 1038 CD ARG B 33 18.515 16.337 2.106 1.00 3.48 C ATOM 1039 NE ARG B 33 19.816 16.901 1.756 1.00 4.18 N ATOM 1040 CZ ARG B 33 19.995 18.153 1.340 1.00 4.96 C ATOM 1041 NH1 ARG B 33 18.958 18.974 1.221 1.00 5.21 N ATOM 1042 NH2 ARG B 33 21.212 18.585 1.042 1.00 5.81 N ATOM 0 H ARG B 33 15.410 15.921 1.900 1.00 2.06 H new ATOM 0 HA ARG B 33 15.836 16.053 4.779 1.00 2.26 H new ATOM 0 HB2 ARG B 33 16.510 17.804 2.396 1.00 2.19 H new ATOM 0 HB3 ARG B 33 16.726 18.378 4.038 1.00 2.19 H new ATOM 0 HG2 ARG B 33 18.786 17.471 3.910 1.00 2.87 H new ATOM 0 HG3 ARG B 33 17.989 15.929 4.148 1.00 2.87 H new ATOM 0 HD2 ARG B 33 18.573 15.249 2.083 1.00 3.48 H new ATOM 0 HD3 ARG B 33 17.779 16.633 1.359 1.00 3.48 H new ATOM 0 HE ARG B 33 20.636 16.300 1.835 1.00 4.18 H new ATOM 0 HH11 ARG B 33 18.019 18.646 1.449 1.00 5.21 H new ATOM 0 HH12 ARG B 33 19.100 19.932 0.902 1.00 5.21 H new ATOM 0 HH21 ARG B 33 22.012 17.958 1.131 1.00 5.81 H new ATOM 0 HH22 ARG B 33 21.349 19.544 0.723 1.00 5.81 H new TER 1056 ARG B 33