USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 22 ASN : amide:sc= -4.14! C(o=-4.1!,f=-8!) USER MOD Set 2.1: A 5 ASN : amide:sc= -2.82! C(o=-2.2!,f=-3.7!) USER MOD Set 2.2: A 13 THR OG1 : rot 142:sc= 0.575 USER MOD Set 3.1: A 4 HIS : no HE2:sc= -5.28! C(o=-8.1!,f=-10!) USER MOD Set 3.2: A 6 GLN : amide:sc= -2.8! C(o=-8.1!,f=-8.4!) USER MOD Single : A 1 LEU N :NH3+ 141:sc= 0.019 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.86! C(o=-1.9!,f=-7.2!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00305 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 150:sc= -0.384 USER MOD Single : A 25 LYS NZ :NH3+ -119:sc= -4.04! (180deg=-8.36!) USER MOD Single : A 26 LYS NZ :NH3+ 133:sc= -5.24! (180deg=-9.57!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= -2.17! (180deg=-2.43!) USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0678) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.63! USER MOD Single : A 60 ASN : amide:sc= -3.29! C(o=-3.3!,f=-21!) USER MOD Single : A 61 ASN : amide:sc= 0.473 K(o=0.47,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.167 -15.260 2.054 1.00 0.00 N ATOM 2 CA LEU A 1 -5.806 -14.234 1.091 1.00 0.00 C ATOM 3 C LEU A 1 -4.644 -13.407 1.645 1.00 0.00 C ATOM 4 O LEU A 1 -4.659 -13.012 2.810 1.00 0.00 O ATOM 5 CB LEU A 1 -7.031 -13.398 0.714 1.00 0.00 C ATOM 6 CG LEU A 1 -6.767 -12.190 -0.188 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.640 -12.616 -1.652 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.840 -11.117 0.006 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.201 -15.365 2.078 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.733 -16.164 1.777 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.825 -14.986 2.997 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.461 -14.688 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.750 -14.048 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.502 -13.045 1.632 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.814 -11.748 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.453 -11.739 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.812 -13.317 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.565 -13.096 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.629 -10.270 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.817 -11.531 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.839 -10.785 1.044 1.00 0.00 H new ATOM 22 N GLU A 2 -3.665 -13.169 0.784 1.00 0.00 N ATOM 23 CA GLU A 2 -2.498 -12.396 1.173 1.00 0.00 C ATOM 24 C GLU A 2 -2.506 -11.035 0.474 1.00 0.00 C ATOM 25 O GLU A 2 -2.962 -10.919 -0.662 1.00 0.00 O ATOM 26 CB GLU A 2 -1.208 -13.161 0.870 1.00 0.00 C ATOM 27 CG GLU A 2 -1.316 -14.618 1.322 1.00 0.00 C ATOM 28 CD GLU A 2 -2.204 -15.423 0.372 1.00 0.00 C ATOM 29 OE1 GLU A 2 -1.856 -15.470 -0.828 1.00 0.00 O ATOM 30 OE2 GLU A 2 -3.212 -15.974 0.866 1.00 0.00 O ATOM 0 H GLU A 2 -3.656 -13.498 -0.181 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.538 -12.230 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.001 -13.123 -0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.369 -12.681 1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.322 -15.064 1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.726 -14.660 2.331 1.00 0.00 H new ATOM 37 N CYS A 3 -1.995 -10.039 1.183 1.00 0.00 N ATOM 38 CA CYS A 3 -1.937 -8.690 0.645 1.00 0.00 C ATOM 39 C CYS A 3 -0.574 -8.091 0.995 1.00 0.00 C ATOM 40 O CYS A 3 -0.091 -8.250 2.115 1.00 0.00 O ATOM 41 CB CYS A 3 -3.090 -7.826 1.160 1.00 0.00 C ATOM 42 SG CYS A 3 -4.729 -8.638 1.135 1.00 0.00 S ATOM 0 H CYS A 3 -1.617 -10.139 2.125 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.050 -8.723 -0.439 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.867 -7.520 2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.141 -6.918 0.559 1.00 0.00 H new ATOM 47 N HIS A 4 0.009 -7.415 0.016 1.00 0.00 N ATOM 48 CA HIS A 4 1.308 -6.792 0.206 1.00 0.00 C ATOM 49 C HIS A 4 1.210 -5.728 1.302 1.00 0.00 C ATOM 50 O HIS A 4 0.195 -5.044 1.419 1.00 0.00 O ATOM 51 CB HIS A 4 1.843 -6.235 -1.115 1.00 0.00 C ATOM 52 CG HIS A 4 2.556 -7.257 -1.968 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.910 -7.520 -1.848 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.090 -8.078 -2.952 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.233 -8.457 -2.727 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.104 -8.802 -3.410 1.00 0.00 N ATOM 0 H HIS A 4 -0.395 -7.285 -0.912 1.00 0.00 H new ATOM 0 HA HIS A 4 2.029 -7.540 0.536 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.013 -5.817 -1.684 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.528 -5.414 -0.901 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.550 -7.069 -1.194 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.069 -8.130 -3.300 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.218 -8.875 -2.877 1.00 0.00 H new ATOM 65 N ASN A 5 2.280 -5.622 2.076 1.00 0.00 N ATOM 66 CA ASN A 5 2.328 -4.653 3.157 1.00 0.00 C ATOM 67 C ASN A 5 3.592 -3.801 3.018 1.00 0.00 C ATOM 68 O ASN A 5 3.925 -3.028 3.914 1.00 0.00 O ATOM 69 CB ASN A 5 2.376 -5.349 4.519 1.00 0.00 C ATOM 70 CG ASN A 5 3.796 -5.814 4.847 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.729 -5.032 4.932 1.00 0.00 O ATOM 72 ND2 ASN A 5 3.908 -7.127 5.027 1.00 0.00 N ATOM 0 H ASN A 5 3.120 -6.191 1.976 1.00 0.00 H new ATOM 0 HA ASN A 5 1.431 -4.037 3.097 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.025 -4.666 5.293 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.700 -6.204 4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.815 -7.536 5.251 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.086 -7.725 4.941 1.00 0.00 H new ATOM 79 N GLN A 6 4.260 -3.972 1.886 1.00 0.00 N ATOM 80 CA GLN A 6 5.479 -3.228 1.617 1.00 0.00 C ATOM 81 C GLN A 6 5.171 -1.735 1.483 1.00 0.00 C ATOM 82 O GLN A 6 4.125 -1.358 0.956 1.00 0.00 O ATOM 83 CB GLN A 6 6.179 -3.758 0.365 1.00 0.00 C ATOM 84 CG GLN A 6 5.162 -4.142 -0.711 1.00 0.00 C ATOM 85 CD GLN A 6 5.737 -3.923 -2.112 1.00 0.00 C ATOM 86 OE1 GLN A 6 6.272 -2.875 -2.435 1.00 0.00 O ATOM 87 NE2 GLN A 6 5.598 -4.968 -2.924 1.00 0.00 N ATOM 0 H GLN A 6 3.980 -4.615 1.145 1.00 0.00 H new ATOM 0 HA GLN A 6 6.158 -3.365 2.458 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.858 -2.999 -0.025 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.786 -4.626 0.623 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.877 -5.187 -0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.256 -3.548 -0.589 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.140 -5.816 -2.590 1.00 0.00 H new ATOM 0 HE22 GLN A 6 5.950 -4.921 -3.880 1.00 0.00 H new ATOM 96 N GLN A 7 6.101 -0.926 1.969 1.00 0.00 N ATOM 97 CA GLN A 7 5.942 0.517 1.910 1.00 0.00 C ATOM 98 C GLN A 7 6.873 1.111 0.850 1.00 0.00 C ATOM 99 O GLN A 7 7.903 0.522 0.525 1.00 0.00 O ATOM 100 CB GLN A 7 6.194 1.153 3.278 1.00 0.00 C ATOM 101 CG GLN A 7 5.424 2.468 3.422 1.00 0.00 C ATOM 102 CD GLN A 7 5.836 3.208 4.696 1.00 0.00 C ATOM 103 OE1 GLN A 7 6.727 2.798 5.423 1.00 0.00 O ATOM 104 NE2 GLN A 7 5.141 4.318 4.925 1.00 0.00 N ATOM 0 H GLN A 7 6.967 -1.242 2.405 1.00 0.00 H new ATOM 0 HA GLN A 7 4.913 0.738 1.627 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.892 0.462 4.065 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.261 1.336 3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.611 3.100 2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.353 2.266 3.445 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.408 4.604 4.276 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.341 4.884 5.750 1.00 0.00 H new ATOM 113 N SER A 8 6.477 2.268 0.342 1.00 0.00 N ATOM 114 CA SER A 8 7.264 2.948 -0.673 1.00 0.00 C ATOM 115 C SER A 8 7.935 1.922 -1.588 1.00 0.00 C ATOM 116 O SER A 8 7.294 0.974 -2.040 1.00 0.00 O ATOM 117 CB SER A 8 8.314 3.860 -0.038 1.00 0.00 C ATOM 118 OG SER A 8 7.772 4.641 1.024 1.00 0.00 O ATOM 0 H SER A 8 5.621 2.752 0.614 1.00 0.00 H new ATOM 0 HA SER A 8 6.593 3.571 -1.265 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.138 3.255 0.341 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.728 4.521 -0.799 1.00 0.00 H new ATOM 0 HG SER A 8 8.475 5.209 1.404 1.00 0.00 H new ATOM 124 N SER A 9 9.218 2.146 -1.834 1.00 0.00 N ATOM 125 CA SER A 9 9.983 1.253 -2.687 1.00 0.00 C ATOM 126 C SER A 9 10.600 0.130 -1.850 1.00 0.00 C ATOM 127 O SER A 9 11.249 -0.765 -2.388 1.00 0.00 O ATOM 128 CB SER A 9 11.075 2.013 -3.442 1.00 0.00 C ATOM 129 OG SER A 9 10.537 2.844 -4.467 1.00 0.00 O ATOM 0 H SER A 9 9.746 2.933 -1.457 1.00 0.00 H new ATOM 0 HA SER A 9 9.305 0.819 -3.422 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.642 2.624 -2.740 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.774 1.301 -3.882 1.00 0.00 H new ATOM 0 HG SER A 9 11.266 3.313 -4.924 1.00 0.00 H new ATOM 135 N GLN A 10 10.375 0.215 -0.547 1.00 0.00 N ATOM 136 CA GLN A 10 10.900 -0.782 0.370 1.00 0.00 C ATOM 137 C GLN A 10 10.685 -2.188 -0.195 1.00 0.00 C ATOM 138 O GLN A 10 9.965 -2.362 -1.177 1.00 0.00 O ATOM 139 CB GLN A 10 10.264 -0.644 1.754 1.00 0.00 C ATOM 140 CG GLN A 10 10.242 0.818 2.204 1.00 0.00 C ATOM 141 CD GLN A 10 11.415 1.595 1.602 1.00 0.00 C ATOM 142 OE1 GLN A 10 11.270 2.361 0.664 1.00 0.00 O ATOM 143 NE2 GLN A 10 12.582 1.355 2.193 1.00 0.00 N ATOM 0 H GLN A 10 9.836 0.959 -0.105 1.00 0.00 H new ATOM 0 HA GLN A 10 11.972 -0.616 0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.247 -1.037 1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.821 -1.242 2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.302 1.281 1.903 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.288 0.868 3.292 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.633 0.701 2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.426 1.825 1.865 1.00 0.00 H new ATOM 152 N PRO A 11 11.321 -3.154 0.450 1.00 0.00 N ATOM 153 CA PRO A 11 11.260 -4.571 0.086 1.00 0.00 C ATOM 154 C PRO A 11 9.810 -5.057 0.132 1.00 0.00 C ATOM 155 O PRO A 11 9.127 -4.887 1.140 1.00 0.00 O ATOM 156 CB PRO A 11 12.075 -5.262 1.181 1.00 0.00 C ATOM 157 CG PRO A 11 13.003 -4.188 1.669 1.00 0.00 C ATOM 158 CD PRO A 11 12.176 -2.934 1.620 1.00 0.00 C ATOM 0 HA PRO A 11 11.637 -4.771 -0.917 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.435 -5.632 1.982 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.625 -6.118 0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.354 -4.394 2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.886 -4.107 1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.590 -2.800 2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.796 -2.045 1.506 1.00 0.00 H new ATOM 166 N PRO A 12 9.382 -5.651 -0.973 1.00 0.00 N ATOM 167 CA PRO A 12 8.033 -6.192 -1.151 1.00 0.00 C ATOM 168 C PRO A 12 7.755 -7.255 -0.086 1.00 0.00 C ATOM 169 O PRO A 12 8.531 -8.196 0.073 1.00 0.00 O ATOM 170 CB PRO A 12 8.083 -6.842 -2.535 1.00 0.00 C ATOM 171 CG PRO A 12 9.181 -6.100 -3.240 1.00 0.00 C ATOM 172 CD PRO A 12 10.204 -5.848 -2.169 1.00 0.00 C ATOM 0 HA PRO A 12 7.254 -5.435 -1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.299 -7.908 -2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.132 -6.742 -3.059 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.597 -6.688 -4.058 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.818 -5.167 -3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.887 -6.690 -2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.813 -4.971 -2.390 1.00 0.00 H new ATOM 180 N THR A 13 6.646 -7.070 0.615 1.00 0.00 N ATOM 181 CA THR A 13 6.257 -8.002 1.660 1.00 0.00 C ATOM 182 C THR A 13 4.781 -8.378 1.516 1.00 0.00 C ATOM 183 O THR A 13 4.078 -7.835 0.665 1.00 0.00 O ATOM 184 CB THR A 13 6.593 -7.366 3.010 1.00 0.00 C ATOM 185 OG1 THR A 13 6.272 -5.988 2.835 1.00 0.00 O ATOM 186 CG2 THR A 13 8.095 -7.365 3.300 1.00 0.00 C ATOM 0 H THR A 13 6.004 -6.289 0.480 1.00 0.00 H new ATOM 0 HA THR A 13 6.808 -8.939 1.580 1.00 0.00 H new ATOM 0 HB THR A 13 6.071 -7.902 3.803 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.867 -5.640 3.656 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.278 -6.902 4.270 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.464 -8.391 3.312 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.615 -6.801 2.525 1.00 0.00 H new ATOM 194 N THR A 14 4.354 -9.305 2.361 1.00 0.00 N ATOM 195 CA THR A 14 2.975 -9.761 2.339 1.00 0.00 C ATOM 196 C THR A 14 2.493 -10.073 3.757 1.00 0.00 C ATOM 197 O THR A 14 3.301 -10.341 4.646 1.00 0.00 O ATOM 198 CB THR A 14 2.887 -10.958 1.390 1.00 0.00 C ATOM 199 OG1 THR A 14 4.094 -11.677 1.627 1.00 0.00 O ATOM 200 CG2 THR A 14 2.981 -10.547 -0.081 1.00 0.00 C ATOM 0 H THR A 14 4.940 -9.753 3.066 1.00 0.00 H new ATOM 0 HA THR A 14 2.308 -8.983 1.967 1.00 0.00 H new ATOM 0 HB THR A 14 1.950 -11.488 1.560 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.120 -12.471 1.054 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.913 -11.434 -0.712 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.164 -9.867 -0.322 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.933 -10.047 -0.259 1.00 0.00 H new ATOM 208 N LYS A 15 1.180 -10.029 3.925 1.00 0.00 N ATOM 209 CA LYS A 15 0.581 -10.305 5.220 1.00 0.00 C ATOM 210 C LYS A 15 -0.773 -10.986 5.016 1.00 0.00 C ATOM 211 O LYS A 15 -1.455 -10.736 4.024 1.00 0.00 O ATOM 212 CB LYS A 15 0.506 -9.027 6.058 1.00 0.00 C ATOM 213 CG LYS A 15 0.054 -9.334 7.487 1.00 0.00 C ATOM 214 CD LYS A 15 -0.321 -8.051 8.231 1.00 0.00 C ATOM 215 CE LYS A 15 -1.737 -7.599 7.868 1.00 0.00 C ATOM 216 NZ LYS A 15 -2.279 -6.701 8.912 1.00 0.00 N ATOM 0 H LYS A 15 0.513 -9.806 3.186 1.00 0.00 H new ATOM 0 HA LYS A 15 1.203 -10.996 5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.482 -8.543 6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.188 -8.325 5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.802 -10.009 7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.852 -9.849 8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.253 -8.217 9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.390 -7.263 7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.725 -7.084 6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.385 -8.468 7.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.240 -6.404 8.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.308 -7.204 9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.670 -5.863 9.000 1.00 0.00 H new ATOM 230 N THR A 16 -1.122 -11.835 5.972 1.00 0.00 N ATOM 231 CA THR A 16 -2.383 -12.554 5.910 1.00 0.00 C ATOM 232 C THR A 16 -3.541 -11.638 6.313 1.00 0.00 C ATOM 233 O THR A 16 -3.485 -10.982 7.352 1.00 0.00 O ATOM 234 CB THR A 16 -2.260 -13.800 6.790 1.00 0.00 C ATOM 235 OG1 THR A 16 -0.950 -14.290 6.517 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.183 -14.932 6.334 1.00 0.00 C ATOM 0 H THR A 16 -0.553 -12.041 6.793 1.00 0.00 H new ATOM 0 HA THR A 16 -2.604 -12.876 4.893 1.00 0.00 H new ATOM 0 HB THR A 16 -2.489 -13.538 7.823 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.785 -15.097 7.048 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.057 -15.792 6.992 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.219 -14.595 6.373 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.932 -15.217 5.312 1.00 0.00 H new ATOM 244 N CYS A 17 -4.562 -11.623 5.469 1.00 0.00 N ATOM 245 CA CYS A 17 -5.731 -10.798 5.724 1.00 0.00 C ATOM 246 C CYS A 17 -6.660 -11.562 6.670 1.00 0.00 C ATOM 247 O CYS A 17 -7.092 -12.671 6.360 1.00 0.00 O ATOM 248 CB CYS A 17 -6.437 -10.402 4.426 1.00 0.00 C ATOM 249 SG CYS A 17 -5.318 -9.982 3.041 1.00 0.00 S ATOM 0 H CYS A 17 -4.604 -12.169 4.608 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.425 -9.863 6.194 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.084 -11.223 4.116 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.082 -9.546 4.626 1.00 0.00 H new ATOM 254 N SER A 18 -6.942 -10.937 7.804 1.00 0.00 N ATOM 255 CA SER A 18 -7.812 -11.544 8.797 1.00 0.00 C ATOM 256 C SER A 18 -9.201 -10.904 8.736 1.00 0.00 C ATOM 257 O SER A 18 -9.350 -9.710 8.994 1.00 0.00 O ATOM 258 CB SER A 18 -7.225 -11.405 10.203 1.00 0.00 C ATOM 259 OG SER A 18 -7.960 -12.155 11.165 1.00 0.00 O ATOM 0 H SER A 18 -6.583 -10.016 8.057 1.00 0.00 H new ATOM 0 HA SER A 18 -7.898 -12.607 8.572 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.188 -11.740 10.198 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.219 -10.354 10.491 1.00 0.00 H new ATOM 0 HG SER A 18 -7.553 -12.041 12.049 1.00 0.00 H new ATOM 265 N GLY A 19 -10.181 -11.726 8.393 1.00 0.00 N ATOM 266 CA GLY A 19 -11.553 -11.255 8.296 1.00 0.00 C ATOM 267 C GLY A 19 -11.776 -10.484 6.994 1.00 0.00 C ATOM 268 O GLY A 19 -12.912 -10.174 6.638 1.00 0.00 O ATOM 0 H GLY A 19 -10.053 -12.715 8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.237 -12.103 8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.782 -10.613 9.147 1.00 0.00 H new ATOM 272 N GLU A 20 -10.673 -10.194 6.318 1.00 0.00 N ATOM 273 CA GLU A 20 -10.734 -9.464 5.063 1.00 0.00 C ATOM 274 C GLU A 20 -10.532 -10.418 3.884 1.00 0.00 C ATOM 275 O GLU A 20 -9.936 -11.483 4.038 1.00 0.00 O ATOM 276 CB GLU A 20 -9.705 -8.333 5.036 1.00 0.00 C ATOM 277 CG GLU A 20 -9.620 -7.637 6.396 1.00 0.00 C ATOM 278 CD GLU A 20 -8.354 -6.783 6.497 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.261 -7.390 6.528 1.00 0.00 O ATOM 280 OE2 GLU A 20 -8.507 -5.544 6.541 1.00 0.00 O ATOM 0 H GLU A 20 -9.732 -10.452 6.616 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.722 -9.013 4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.727 -8.732 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.976 -7.608 4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.499 -7.009 6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.624 -8.383 7.191 1.00 0.00 H new ATOM 287 N THR A 21 -11.038 -10.001 2.733 1.00 0.00 N ATOM 288 CA THR A 21 -10.921 -10.805 1.528 1.00 0.00 C ATOM 289 C THR A 21 -10.508 -9.931 0.342 1.00 0.00 C ATOM 290 O THR A 21 -10.630 -10.344 -0.810 1.00 0.00 O ATOM 291 CB THR A 21 -12.249 -11.533 1.314 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.236 -10.550 1.615 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.489 -12.632 2.351 1.00 0.00 C ATOM 0 H THR A 21 -11.530 -9.116 2.609 1.00 0.00 H new ATOM 0 HA THR A 21 -10.136 -11.555 1.627 1.00 0.00 H new ATOM 0 HB THR A 21 -12.267 -11.968 0.315 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.129 -10.937 1.500 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.445 -13.117 2.153 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.689 -13.370 2.291 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.504 -12.194 3.349 1.00 0.00 H new ATOM 301 N ASN A 22 -10.029 -8.739 0.665 1.00 0.00 N ATOM 302 CA ASN A 22 -9.598 -7.803 -0.359 1.00 0.00 C ATOM 303 C ASN A 22 -8.262 -7.181 0.053 1.00 0.00 C ATOM 304 O ASN A 22 -7.943 -7.117 1.240 1.00 0.00 O ATOM 305 CB ASN A 22 -10.613 -6.671 -0.533 1.00 0.00 C ATOM 306 CG ASN A 22 -11.981 -7.219 -0.942 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.324 -7.296 -2.111 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.741 -7.596 0.082 1.00 0.00 N ATOM 0 H ASN A 22 -9.930 -8.400 1.622 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.503 -8.350 -1.297 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.705 -6.114 0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.257 -5.971 -1.289 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.672 -7.977 -0.087 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.393 -7.505 1.036 1.00 0.00 H new ATOM 315 N CYS A 23 -7.518 -6.738 -0.949 1.00 0.00 N ATOM 316 CA CYS A 23 -6.224 -6.124 -0.705 1.00 0.00 C ATOM 317 C CYS A 23 -6.279 -4.676 -1.197 1.00 0.00 C ATOM 318 O CYS A 23 -6.831 -4.399 -2.261 1.00 0.00 O ATOM 319 CB CYS A 23 -5.090 -6.909 -1.368 1.00 0.00 C ATOM 320 SG CYS A 23 -5.041 -8.689 -0.946 1.00 0.00 S ATOM 0 H CYS A 23 -7.786 -6.792 -1.932 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.009 -6.136 0.364 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.181 -6.809 -2.450 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.140 -6.456 -1.085 1.00 0.00 H new ATOM 325 N TYR A 24 -5.700 -3.791 -0.399 1.00 0.00 N ATOM 326 CA TYR A 24 -5.676 -2.379 -0.741 1.00 0.00 C ATOM 327 C TYR A 24 -4.241 -1.888 -0.944 1.00 0.00 C ATOM 328 O TYR A 24 -3.312 -2.401 -0.323 1.00 0.00 O ATOM 329 CB TYR A 24 -6.289 -1.646 0.455 1.00 0.00 C ATOM 330 CG TYR A 24 -5.326 -1.457 1.629 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.488 -0.362 1.665 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.297 -2.383 2.652 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.582 -0.184 2.770 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.391 -2.205 3.758 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.578 -1.115 3.762 1.00 0.00 C ATOM 336 OH TYR A 24 -2.723 -0.947 4.806 1.00 0.00 O ATOM 0 H TYR A 24 -5.244 -4.024 0.483 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.222 -2.199 -1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.642 -0.668 0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.162 -2.201 0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.511 0.362 0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.953 -3.240 2.623 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.921 0.669 2.810 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.358 -2.921 4.566 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.112 -1.343 5.614 1.00 0.00 H new ATOM 346 N LYS A 25 -4.106 -0.899 -1.815 1.00 0.00 N ATOM 347 CA LYS A 25 -2.800 -0.333 -2.108 1.00 0.00 C ATOM 348 C LYS A 25 -2.896 1.194 -2.095 1.00 0.00 C ATOM 349 O LYS A 25 -3.615 1.781 -2.903 1.00 0.00 O ATOM 350 CB LYS A 25 -2.250 -0.904 -3.417 1.00 0.00 C ATOM 351 CG LYS A 25 -0.998 -0.145 -3.862 1.00 0.00 C ATOM 352 CD LYS A 25 -0.687 -0.418 -5.335 1.00 0.00 C ATOM 353 CE LYS A 25 0.005 0.784 -5.981 1.00 0.00 C ATOM 354 NZ LYS A 25 1.129 1.250 -5.138 1.00 0.00 N ATOM 0 H LYS A 25 -4.879 -0.475 -2.327 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.082 -0.614 -1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.013 -1.960 -3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.012 -0.843 -4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.143 0.924 -3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.149 -0.443 -3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.049 -1.298 -5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.610 -0.642 -5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.373 0.511 -6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.713 1.593 -6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.956 2.231 -4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.208 0.642 -4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.014 1.205 -5.683 1.00 0.00 H new ATOM 368 N LYS A 26 -2.162 1.794 -1.170 1.00 0.00 N ATOM 369 CA LYS A 26 -2.156 3.241 -1.041 1.00 0.00 C ATOM 370 C LYS A 26 -0.810 3.786 -1.524 1.00 0.00 C ATOM 371 O LYS A 26 0.231 3.175 -1.289 1.00 0.00 O ATOM 372 CB LYS A 26 -2.509 3.653 0.390 1.00 0.00 C ATOM 373 CG LYS A 26 -2.880 5.136 0.457 1.00 0.00 C ATOM 374 CD LYS A 26 -2.751 5.669 1.885 1.00 0.00 C ATOM 375 CE LYS A 26 -3.017 4.564 2.909 1.00 0.00 C ATOM 376 NZ LYS A 26 -4.300 3.885 2.618 1.00 0.00 N ATOM 0 H LYS A 26 -1.567 1.304 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.925 3.683 -1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.342 3.049 0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.663 3.456 1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.232 5.707 -0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.902 5.275 0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.751 6.077 2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.455 6.487 2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.203 3.839 2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.043 4.989 3.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.165 2.855 2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.011 4.169 3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.627 4.154 1.668 1.00 0.00 H new ATOM 390 N TRP A 27 -0.876 4.928 -2.191 1.00 0.00 N ATOM 391 CA TRP A 27 0.324 5.562 -2.710 1.00 0.00 C ATOM 392 C TRP A 27 0.002 7.033 -2.983 1.00 0.00 C ATOM 393 O TRP A 27 -1.107 7.362 -3.401 1.00 0.00 O ATOM 394 CB TRP A 27 0.843 4.825 -3.946 1.00 0.00 C ATOM 395 CG TRP A 27 -0.010 5.033 -5.199 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.173 5.925 -6.183 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.194 4.295 -5.565 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.803 5.816 -7.152 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.661 4.793 -6.764 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.850 3.241 -4.905 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.802 4.299 -7.408 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.989 2.758 -5.560 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.471 3.248 -6.768 1.00 0.00 C ATOM 0 H TRP A 27 -1.742 5.431 -2.384 1.00 0.00 H new ATOM 0 HA TRP A 27 1.132 5.512 -1.980 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.861 5.156 -4.153 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.893 3.759 -3.726 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.983 6.639 -6.213 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.881 6.382 -7.997 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.502 2.836 -3.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.147 4.706 -8.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.531 1.948 -5.094 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.358 2.820 -7.211 1.00 0.00 H new ATOM 414 N TRP A 28 0.992 7.878 -2.735 1.00 0.00 N ATOM 415 CA TRP A 28 0.828 9.306 -2.948 1.00 0.00 C ATOM 416 C TRP A 28 2.220 9.932 -3.051 1.00 0.00 C ATOM 417 O TRP A 28 3.223 9.269 -2.791 1.00 0.00 O ATOM 418 CB TRP A 28 -0.028 9.931 -1.844 1.00 0.00 C ATOM 419 CG TRP A 28 0.619 9.893 -0.459 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.247 10.887 0.186 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.677 8.760 0.433 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.703 10.478 1.423 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.346 9.144 1.578 1.00 0.00 C ATOM 424 CE3 TRP A 28 0.181 7.454 0.278 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.579 8.281 2.655 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.423 6.603 1.363 1.00 0.00 C ATOM 427 CH2 TRP A 28 1.094 6.975 2.522 1.00 0.00 C ATOM 0 H TRP A 28 1.911 7.601 -2.389 1.00 0.00 H new ATOM 0 HA TRP A 28 0.290 9.498 -3.877 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.241 10.967 -2.106 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.985 9.410 -1.801 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.379 11.882 -0.212 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.209 11.050 2.099 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.345 7.132 -0.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.105 8.605 3.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.063 5.587 1.295 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.241 6.259 3.317 1.00 0.00 H new ATOM 438 N SER A 29 2.237 11.201 -3.431 1.00 0.00 N ATOM 439 CA SER A 29 3.490 11.923 -3.572 1.00 0.00 C ATOM 440 C SER A 29 3.691 12.860 -2.379 1.00 0.00 C ATOM 441 O SER A 29 2.722 13.309 -1.768 1.00 0.00 O ATOM 442 CB SER A 29 3.525 12.715 -4.881 1.00 0.00 C ATOM 443 OG SER A 29 4.851 13.090 -5.243 1.00 0.00 O ATOM 0 H SER A 29 1.403 11.748 -3.646 1.00 0.00 H new ATOM 0 HA SER A 29 4.302 11.197 -3.596 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.087 12.116 -5.679 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.910 13.609 -4.780 1.00 0.00 H new ATOM 0 HG SER A 29 4.831 13.592 -6.084 1.00 0.00 H new ATOM 449 N ASP A 30 4.954 13.127 -2.083 1.00 0.00 N ATOM 450 CA ASP A 30 5.294 14.002 -0.974 1.00 0.00 C ATOM 451 C ASP A 30 6.555 14.795 -1.324 1.00 0.00 C ATOM 452 O ASP A 30 7.245 14.476 -2.291 1.00 0.00 O ATOM 453 CB ASP A 30 5.580 13.197 0.295 1.00 0.00 C ATOM 454 CG ASP A 30 4.423 12.320 0.778 1.00 0.00 C ATOM 455 OD1 ASP A 30 3.892 11.566 -0.065 1.00 0.00 O ATOM 456 OD2 ASP A 30 4.096 12.423 1.980 1.00 0.00 O ATOM 0 H ASP A 30 5.755 12.753 -2.592 1.00 0.00 H new ATOM 0 HA ASP A 30 4.448 14.666 -0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.448 12.562 0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.850 13.889 1.093 1.00 0.00 H new ATOM 461 N HIS A 31 6.817 15.814 -0.519 1.00 0.00 N ATOM 462 CA HIS A 31 7.982 16.656 -0.732 1.00 0.00 C ATOM 463 C HIS A 31 9.254 15.846 -0.472 1.00 0.00 C ATOM 464 O HIS A 31 10.355 16.297 -0.783 1.00 0.00 O ATOM 465 CB HIS A 31 7.901 17.922 0.123 1.00 0.00 C ATOM 466 CG HIS A 31 6.681 18.769 -0.148 1.00 0.00 C ATOM 467 ND1 HIS A 31 6.092 19.567 0.818 1.00 0.00 N ATOM 468 CD2 HIS A 31 5.946 18.935 -1.285 1.00 0.00 C ATOM 469 CE1 HIS A 31 5.050 20.180 0.276 1.00 0.00 C ATOM 470 NE2 HIS A 31 4.961 19.787 -1.028 1.00 0.00 N ATOM 0 H HIS A 31 6.242 16.076 0.282 1.00 0.00 H new ATOM 0 HA HIS A 31 8.010 16.989 -1.769 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.907 17.638 1.175 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.794 18.523 -0.050 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.134 18.455 -2.234 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.387 20.870 0.778 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.254 20.097 -1.695 1.00 0.00 H new ATOM 479 N ARG A 32 9.059 14.664 0.094 1.00 0.00 N ATOM 480 CA ARG A 32 10.177 13.787 0.398 1.00 0.00 C ATOM 481 C ARG A 32 10.273 12.669 -0.642 1.00 0.00 C ATOM 482 O ARG A 32 11.358 12.151 -0.904 1.00 0.00 O ATOM 483 CB ARG A 32 10.029 13.168 1.789 1.00 0.00 C ATOM 484 CG ARG A 32 9.921 14.253 2.863 1.00 0.00 C ATOM 485 CD ARG A 32 11.217 15.061 2.959 1.00 0.00 C ATOM 486 NE ARG A 32 12.371 14.149 3.124 1.00 0.00 N ATOM 487 CZ ARG A 32 12.758 13.631 4.297 1.00 0.00 C ATOM 488 NH1 ARG A 32 12.085 13.932 5.417 1.00 0.00 N ATOM 489 NH2 ARG A 32 13.817 12.812 4.352 1.00 0.00 N ATOM 0 H ARG A 32 8.144 14.293 0.350 1.00 0.00 H new ATOM 0 HA ARG A 32 11.086 14.389 0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.143 12.534 1.817 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.885 12.527 1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.090 14.919 2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.702 13.795 3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.346 15.665 2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.164 15.750 3.802 1.00 0.00 H new ATOM 0 HE ARG A 32 12.905 13.899 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.279 14.555 5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.379 13.538 6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.329 12.583 3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.111 12.418 5.246 1.00 0.00 H new ATOM 503 N GLY A 33 9.124 12.330 -1.207 1.00 0.00 N ATOM 504 CA GLY A 33 9.065 11.283 -2.213 1.00 0.00 C ATOM 505 C GLY A 33 7.673 10.649 -2.264 1.00 0.00 C ATOM 506 O GLY A 33 6.756 11.100 -1.579 1.00 0.00 O ATOM 0 H GLY A 33 8.226 12.762 -0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.316 11.697 -3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.809 10.518 -1.991 1.00 0.00 H new ATOM 510 N THR A 34 7.559 9.613 -3.082 1.00 0.00 N ATOM 511 CA THR A 34 6.295 8.913 -3.231 1.00 0.00 C ATOM 512 C THR A 34 6.123 7.879 -2.116 1.00 0.00 C ATOM 513 O THR A 34 6.871 6.906 -2.046 1.00 0.00 O ATOM 514 CB THR A 34 6.254 8.305 -4.634 1.00 0.00 C ATOM 515 OG1 THR A 34 5.955 9.411 -5.482 1.00 0.00 O ATOM 516 CG2 THR A 34 5.068 7.357 -4.827 1.00 0.00 C ATOM 0 H THR A 34 8.322 9.242 -3.649 1.00 0.00 H new ATOM 0 HA THR A 34 5.451 9.596 -3.132 1.00 0.00 H new ATOM 0 HB THR A 34 7.183 7.768 -4.824 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.911 9.107 -6.413 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.086 6.953 -5.839 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.135 6.540 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.137 7.902 -4.670 1.00 0.00 H new ATOM 524 N ILE A 35 5.133 8.127 -1.271 1.00 0.00 N ATOM 525 CA ILE A 35 4.853 7.229 -0.163 1.00 0.00 C ATOM 526 C ILE A 35 3.836 6.177 -0.608 1.00 0.00 C ATOM 527 O ILE A 35 2.832 6.505 -1.238 1.00 0.00 O ATOM 528 CB ILE A 35 4.416 8.022 1.071 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.456 9.083 1.438 1.00 0.00 C ATOM 530 CG2 ILE A 35 4.113 7.088 2.244 1.00 0.00 C ATOM 531 CD1 ILE A 35 5.148 9.705 2.801 1.00 0.00 C ATOM 0 H ILE A 35 4.515 8.936 -1.331 1.00 0.00 H new ATOM 0 HA ILE A 35 5.756 6.695 0.131 1.00 0.00 H new ATOM 0 HB ILE A 35 3.492 8.547 0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.449 8.633 1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.472 9.861 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.805 7.677 3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.311 6.404 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.007 6.517 2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.902 10.455 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.165 10.175 2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.157 8.928 3.566 1.00 0.00 H new ATOM 543 N ILE A 36 4.132 4.932 -0.264 1.00 0.00 N ATOM 544 CA ILE A 36 3.256 3.828 -0.621 1.00 0.00 C ATOM 545 C ILE A 36 2.955 2.998 0.628 1.00 0.00 C ATOM 546 O ILE A 36 3.871 2.564 1.325 1.00 0.00 O ATOM 547 CB ILE A 36 3.859 3.016 -1.769 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.477 3.935 -2.826 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.822 2.066 -2.372 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.116 3.122 -3.953 1.00 0.00 C ATOM 0 H ILE A 36 4.966 4.663 0.258 1.00 0.00 H new ATOM 0 HA ILE A 36 2.302 4.202 -0.993 1.00 0.00 H new ATOM 0 HB ILE A 36 4.664 2.401 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.709 4.591 -3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.228 4.574 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.276 1.501 -3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.470 1.377 -1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.980 2.642 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.548 3.799 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.900 2.485 -3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.357 2.502 -4.430 1.00 0.00 H new ATOM 562 N GLU A 37 1.668 2.801 0.872 1.00 0.00 N ATOM 563 CA GLU A 37 1.234 2.030 2.025 1.00 0.00 C ATOM 564 C GLU A 37 0.207 0.977 1.604 1.00 0.00 C ATOM 565 O GLU A 37 -0.892 1.316 1.169 1.00 0.00 O ATOM 566 CB GLU A 37 0.668 2.943 3.114 1.00 0.00 C ATOM 567 CG GLU A 37 1.787 3.508 3.992 1.00 0.00 C ATOM 568 CD GLU A 37 1.222 4.104 5.284 1.00 0.00 C ATOM 569 OE1 GLU A 37 0.441 5.073 5.167 1.00 0.00 O ATOM 570 OE2 GLU A 37 1.584 3.577 6.358 1.00 0.00 O ATOM 0 H GLU A 37 0.911 3.162 0.291 1.00 0.00 H new ATOM 0 HA GLU A 37 2.101 1.517 2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.113 3.761 2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.037 2.386 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.499 2.719 4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.334 4.274 3.442 1.00 0.00 H new ATOM 577 N ARG A 38 0.602 -0.279 1.747 1.00 0.00 N ATOM 578 CA ARG A 38 -0.270 -1.384 1.387 1.00 0.00 C ATOM 579 C ARG A 38 -0.615 -2.214 2.625 1.00 0.00 C ATOM 580 O ARG A 38 0.081 -2.145 3.637 1.00 0.00 O ATOM 581 CB ARG A 38 0.388 -2.288 0.342 1.00 0.00 C ATOM 582 CG ARG A 38 0.996 -1.461 -0.793 1.00 0.00 C ATOM 583 CD ARG A 38 1.896 -2.325 -1.679 1.00 0.00 C ATOM 584 NE ARG A 38 1.878 -1.815 -3.068 1.00 0.00 N ATOM 585 CZ ARG A 38 2.912 -1.194 -3.653 1.00 0.00 C ATOM 586 NH1 ARG A 38 4.050 -1.003 -2.974 1.00 0.00 N ATOM 587 NH2 ARG A 38 2.806 -0.765 -4.918 1.00 0.00 N ATOM 0 H ARG A 38 1.515 -0.556 2.108 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.181 -0.962 0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.164 -2.890 0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.351 -2.980 -0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.200 -1.022 -1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.573 -0.635 -0.377 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.915 -2.317 -1.293 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.555 -3.360 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 38 1.026 -1.944 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.130 -1.330 -2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.837 -0.530 -3.420 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.939 -0.911 -5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.592 -0.292 -5.364 1.00 0.00 H new ATOM 601 N GLY A 39 -1.689 -2.980 2.504 1.00 0.00 N ATOM 602 CA GLY A 39 -2.134 -3.823 3.601 1.00 0.00 C ATOM 603 C GLY A 39 -3.347 -4.661 3.192 1.00 0.00 C ATOM 604 O GLY A 39 -3.809 -4.577 2.055 1.00 0.00 O ATOM 0 H GLY A 39 -2.264 -3.035 1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.322 -4.480 3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.389 -3.203 4.460 1.00 0.00 H new ATOM 608 N CYS A 40 -3.829 -5.450 4.141 1.00 0.00 N ATOM 609 CA CYS A 40 -4.980 -6.302 3.893 1.00 0.00 C ATOM 610 C CYS A 40 -6.247 -5.478 4.129 1.00 0.00 C ATOM 611 O CYS A 40 -6.244 -4.541 4.926 1.00 0.00 O ATOM 612 CB CYS A 40 -4.948 -7.561 4.761 1.00 0.00 C ATOM 613 SG CYS A 40 -3.871 -8.900 4.131 1.00 0.00 S ATOM 0 H CYS A 40 -3.444 -5.517 5.083 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.962 -6.651 2.861 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.615 -7.287 5.762 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.964 -7.945 4.857 1.00 0.00 H new ATOM 618 N GLY A 41 -7.301 -5.857 3.422 1.00 0.00 N ATOM 619 CA GLY A 41 -8.573 -5.165 3.544 1.00 0.00 C ATOM 620 C GLY A 41 -8.724 -4.100 2.456 1.00 0.00 C ATOM 621 O GLY A 41 -7.956 -4.075 1.496 1.00 0.00 O ATOM 0 H GLY A 41 -7.300 -6.635 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.390 -5.883 3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.645 -4.699 4.527 1.00 0.00 H new ATOM 625 N CYS A 42 -9.720 -3.246 2.643 1.00 0.00 N ATOM 626 CA CYS A 42 -9.983 -2.182 1.690 1.00 0.00 C ATOM 627 C CYS A 42 -10.462 -0.952 2.463 1.00 0.00 C ATOM 628 O CYS A 42 -11.647 -0.620 2.437 1.00 0.00 O ATOM 629 CB CYS A 42 -10.990 -2.614 0.623 1.00 0.00 C ATOM 630 SG CYS A 42 -11.511 -1.285 -0.523 1.00 0.00 S ATOM 0 H CYS A 42 -10.355 -3.270 3.441 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.067 -1.938 1.152 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.555 -3.427 0.041 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.874 -3.014 1.119 1.00 0.00 H new ATOM 635 N PRO A 43 -9.518 -0.309 3.134 1.00 0.00 N ATOM 636 CA PRO A 43 -9.753 0.891 3.940 1.00 0.00 C ATOM 637 C PRO A 43 -10.080 2.090 3.048 1.00 0.00 C ATOM 638 O PRO A 43 -10.117 1.966 1.825 1.00 0.00 O ATOM 639 CB PRO A 43 -8.421 1.098 4.664 1.00 0.00 C ATOM 640 CG PRO A 43 -7.413 0.483 3.736 1.00 0.00 C ATOM 641 CD PRO A 43 -8.111 -0.715 3.157 1.00 0.00 C ATOM 0 HA PRO A 43 -10.597 0.788 4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.217 2.155 4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.416 0.612 5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.114 1.183 2.956 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.507 0.194 4.270 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.744 -0.950 2.158 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.959 -1.604 3.770 1.00 0.00 H new ATOM 649 N LYS A 44 -10.309 3.224 3.695 1.00 0.00 N ATOM 650 CA LYS A 44 -10.632 4.444 2.974 1.00 0.00 C ATOM 651 C LYS A 44 -9.483 5.442 3.130 1.00 0.00 C ATOM 652 O LYS A 44 -8.901 5.562 4.207 1.00 0.00 O ATOM 653 CB LYS A 44 -11.987 4.991 3.427 1.00 0.00 C ATOM 654 CG LYS A 44 -12.594 5.905 2.361 1.00 0.00 C ATOM 655 CD LYS A 44 -13.462 5.109 1.385 1.00 0.00 C ATOM 656 CE LYS A 44 -14.899 4.995 1.897 1.00 0.00 C ATOM 657 NZ LYS A 44 -14.912 4.590 3.320 1.00 0.00 N ATOM 0 H LYS A 44 -10.277 3.323 4.710 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.736 4.241 1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.667 4.164 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.867 5.543 4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.195 6.679 2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.798 6.412 1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.457 5.595 0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.041 4.113 1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.410 5.951 1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.447 4.266 1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.894 4.452 3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.384 3.701 3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.467 5.332 3.896 1.00 0.00 H new ATOM 671 N VAL A 45 -9.191 6.133 2.038 1.00 0.00 N ATOM 672 CA VAL A 45 -8.122 7.118 2.039 1.00 0.00 C ATOM 673 C VAL A 45 -8.716 8.510 1.823 1.00 0.00 C ATOM 674 O VAL A 45 -9.849 8.641 1.361 1.00 0.00 O ATOM 675 CB VAL A 45 -7.068 6.748 0.993 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.589 5.307 1.184 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.604 6.965 -0.424 1.00 0.00 C ATOM 0 H VAL A 45 -9.676 6.031 1.146 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.614 7.128 3.003 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.211 7.407 1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.841 5.069 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.150 5.198 2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.434 4.626 1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.836 6.695 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.485 6.342 -0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.874 8.013 -0.555 1.00 0.00 H new ATOM 687 N LYS A 46 -7.926 9.517 2.167 1.00 0.00 N ATOM 688 CA LYS A 46 -8.360 10.895 2.016 1.00 0.00 C ATOM 689 C LYS A 46 -8.040 11.373 0.598 1.00 0.00 C ATOM 690 O LYS A 46 -7.340 10.691 -0.148 1.00 0.00 O ATOM 691 CB LYS A 46 -7.752 11.772 3.112 1.00 0.00 C ATOM 692 CG LYS A 46 -7.718 11.031 4.451 1.00 0.00 C ATOM 693 CD LYS A 46 -7.606 12.014 5.618 1.00 0.00 C ATOM 694 CE LYS A 46 -6.372 12.904 5.468 1.00 0.00 C ATOM 695 NZ LYS A 46 -5.135 12.105 5.612 1.00 0.00 N ATOM 0 H LYS A 46 -6.987 9.405 2.550 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.440 10.970 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.741 12.066 2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.333 12.688 3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.621 10.431 4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.873 10.342 4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.502 12.633 5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.550 11.464 6.557 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.385 13.392 4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.392 13.693 6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.311 12.740 5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.172 11.566 6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.051 11.447 4.811 1.00 0.00 H new ATOM 709 N PRO A 47 -8.569 12.543 0.269 1.00 0.00 N ATOM 710 CA PRO A 47 -8.395 13.191 -1.032 1.00 0.00 C ATOM 711 C PRO A 47 -6.908 13.425 -1.302 1.00 0.00 C ATOM 712 O PRO A 47 -6.181 13.890 -0.425 1.00 0.00 O ATOM 713 CB PRO A 47 -9.112 14.533 -0.867 1.00 0.00 C ATOM 714 CG PRO A 47 -10.115 14.272 0.219 1.00 0.00 C ATOM 715 CD PRO A 47 -9.403 13.347 1.166 1.00 0.00 C ATOM 0 HA PRO A 47 -8.784 12.598 -1.860 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.418 15.326 -0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.596 14.844 -1.793 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.414 15.196 0.715 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.021 13.815 -0.178 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.803 13.895 1.893 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.102 12.730 1.730 1.00 0.00 H new ATOM 723 N GLY A 48 -6.498 13.094 -2.517 1.00 0.00 N ATOM 724 CA GLY A 48 -5.110 13.262 -2.912 1.00 0.00 C ATOM 725 C GLY A 48 -4.366 11.926 -2.886 1.00 0.00 C ATOM 726 O GLY A 48 -3.494 11.680 -3.718 1.00 0.00 O ATOM 0 H GLY A 48 -7.104 12.710 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.063 13.689 -3.914 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.620 13.968 -2.241 1.00 0.00 H new ATOM 730 N VAL A 49 -4.738 11.096 -1.922 1.00 0.00 N ATOM 731 CA VAL A 49 -4.117 9.791 -1.776 1.00 0.00 C ATOM 732 C VAL A 49 -4.776 8.807 -2.745 1.00 0.00 C ATOM 733 O VAL A 49 -5.974 8.898 -3.009 1.00 0.00 O ATOM 734 CB VAL A 49 -4.193 9.335 -0.318 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.145 8.258 -0.025 1.00 0.00 C ATOM 736 CG2 VAL A 49 -4.041 10.521 0.636 1.00 0.00 C ATOM 0 H VAL A 49 -5.462 11.303 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.059 9.841 -2.032 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.178 8.898 -0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.220 7.951 1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.318 7.397 -0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.149 8.658 -0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.099 10.169 1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.076 11.000 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.840 11.240 0.453 1.00 0.00 H new ATOM 746 N ASN A 50 -3.965 7.888 -3.248 1.00 0.00 N ATOM 747 CA ASN A 50 -4.454 6.888 -4.182 1.00 0.00 C ATOM 748 C ASN A 50 -4.693 5.574 -3.436 1.00 0.00 C ATOM 749 O ASN A 50 -3.929 5.216 -2.541 1.00 0.00 O ATOM 750 CB ASN A 50 -3.434 6.624 -5.291 1.00 0.00 C ATOM 751 CG ASN A 50 -3.458 7.741 -6.336 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.300 7.783 -7.218 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.489 8.641 -6.189 1.00 0.00 N ATOM 0 H ASN A 50 -2.972 7.815 -3.026 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.377 7.262 -4.624 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.436 6.545 -4.860 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.651 5.669 -5.769 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.419 9.426 -6.837 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.816 8.546 -5.428 1.00 0.00 H new ATOM 760 N LEU A 51 -5.756 4.890 -3.833 1.00 0.00 N ATOM 761 CA LEU A 51 -6.106 3.623 -3.213 1.00 0.00 C ATOM 762 C LEU A 51 -6.630 2.664 -4.283 1.00 0.00 C ATOM 763 O LEU A 51 -7.358 3.074 -5.186 1.00 0.00 O ATOM 764 CB LEU A 51 -7.080 3.844 -2.054 1.00 0.00 C ATOM 765 CG LEU A 51 -7.678 2.581 -1.431 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.578 1.657 -0.904 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.698 2.935 -0.346 1.00 0.00 C ATOM 0 H LEU A 51 -6.387 5.189 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.224 3.158 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.563 4.401 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.897 4.473 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.212 2.036 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.029 0.767 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.923 1.365 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.997 2.180 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.108 2.020 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.209 3.514 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.504 3.524 -0.783 1.00 0.00 H new ATOM 779 N ASN A 52 -6.239 1.406 -4.147 1.00 0.00 N ATOM 780 CA ASN A 52 -6.661 0.385 -5.092 1.00 0.00 C ATOM 781 C ASN A 52 -7.012 -0.895 -4.330 1.00 0.00 C ATOM 782 O ASN A 52 -6.157 -1.483 -3.670 1.00 0.00 O ATOM 783 CB ASN A 52 -5.542 0.054 -6.081 1.00 0.00 C ATOM 784 CG ASN A 52 -5.706 -1.360 -6.641 1.00 0.00 C ATOM 785 OD1 ASN A 52 -5.099 -2.313 -6.180 1.00 0.00 O ATOM 786 ND2 ASN A 52 -6.558 -1.443 -7.659 1.00 0.00 N ATOM 0 H ASN A 52 -5.635 1.070 -3.397 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.524 0.767 -5.638 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.549 0.776 -6.898 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.575 0.143 -5.585 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.736 -2.344 -8.103 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.033 -0.606 -7.996 1.00 0.00 H new ATOM 793 N CYS A 53 -8.272 -1.288 -4.447 1.00 0.00 N ATOM 794 CA CYS A 53 -8.747 -2.487 -3.778 1.00 0.00 C ATOM 795 C CYS A 53 -9.000 -3.561 -4.838 1.00 0.00 C ATOM 796 O CYS A 53 -9.429 -3.253 -5.949 1.00 0.00 O ATOM 797 CB CYS A 53 -9.996 -2.209 -2.938 1.00 0.00 C ATOM 798 SG CYS A 53 -9.794 -0.904 -1.671 1.00 0.00 S ATOM 0 H CYS A 53 -8.978 -0.797 -4.995 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.989 -2.840 -3.078 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.810 -1.925 -3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.297 -3.132 -2.443 1.00 0.00 H new ATOM 803 N CYS A 54 -8.723 -4.799 -4.457 1.00 0.00 N ATOM 804 CA CYS A 54 -8.914 -5.920 -5.361 1.00 0.00 C ATOM 805 C CYS A 54 -9.160 -7.177 -4.523 1.00 0.00 C ATOM 806 O CYS A 54 -8.886 -7.191 -3.324 1.00 0.00 O ATOM 807 CB CYS A 54 -7.727 -6.091 -6.310 1.00 0.00 C ATOM 808 SG CYS A 54 -6.092 -5.746 -5.564 1.00 0.00 S ATOM 0 H CYS A 54 -8.368 -5.051 -3.535 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.779 -5.733 -5.997 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.729 -7.112 -6.691 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.866 -5.431 -7.166 1.00 0.00 H new ATOM 813 N ARG A 55 -9.675 -8.201 -5.187 1.00 0.00 N ATOM 814 CA ARG A 55 -9.961 -9.459 -4.518 1.00 0.00 C ATOM 815 C ARG A 55 -9.018 -10.554 -5.020 1.00 0.00 C ATOM 816 O ARG A 55 -9.454 -11.664 -5.321 1.00 0.00 O ATOM 817 CB ARG A 55 -11.409 -9.893 -4.758 1.00 0.00 C ATOM 818 CG ARG A 55 -12.391 -8.873 -4.178 1.00 0.00 C ATOM 819 CD ARG A 55 -13.686 -8.835 -4.991 1.00 0.00 C ATOM 820 NE ARG A 55 -13.447 -8.173 -6.293 1.00 0.00 N ATOM 821 CZ ARG A 55 -13.329 -6.847 -6.452 1.00 0.00 C ATOM 822 NH1 ARG A 55 -13.428 -6.034 -5.391 1.00 0.00 N ATOM 823 NH2 ARG A 55 -13.113 -6.335 -7.671 1.00 0.00 N ATOM 0 H ARG A 55 -9.902 -8.185 -6.181 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.811 -9.308 -3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.586 -10.006 -5.828 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.580 -10.868 -4.302 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.615 -9.127 -3.142 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.932 -7.884 -4.172 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.054 -9.848 -5.151 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.457 -8.299 -4.437 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.367 -8.763 -7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.593 -6.424 -4.463 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.338 -5.025 -5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.038 -6.954 -8.478 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.023 -5.326 -7.792 1.00 0.00 H new ATOM 837 N THR A 56 -7.742 -10.202 -5.095 1.00 0.00 N ATOM 838 CA THR A 56 -6.734 -11.141 -5.556 1.00 0.00 C ATOM 839 C THR A 56 -5.529 -11.135 -4.613 1.00 0.00 C ATOM 840 O THR A 56 -5.160 -10.090 -4.078 1.00 0.00 O ATOM 841 CB THR A 56 -6.377 -10.782 -7.000 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.477 -9.361 -7.039 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.433 -11.258 -7.999 1.00 0.00 C ATOM 0 H THR A 56 -7.384 -9.280 -4.844 1.00 0.00 H new ATOM 0 HA THR A 56 -7.112 -12.163 -5.544 1.00 0.00 H new ATOM 0 HB THR A 56 -5.412 -11.220 -7.256 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.260 -9.042 -7.940 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.131 -10.978 -9.008 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.530 -12.342 -7.937 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.391 -10.794 -7.765 1.00 0.00 H new ATOM 851 N ASP A 57 -4.949 -12.313 -4.437 1.00 0.00 N ATOM 852 CA ASP A 57 -3.793 -12.456 -3.568 1.00 0.00 C ATOM 853 C ASP A 57 -2.647 -11.595 -4.104 1.00 0.00 C ATOM 854 O ASP A 57 -2.435 -11.521 -5.314 1.00 0.00 O ATOM 855 CB ASP A 57 -3.313 -13.908 -3.524 1.00 0.00 C ATOM 856 CG ASP A 57 -4.335 -14.911 -2.985 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.455 -14.987 -1.744 1.00 0.00 O ATOM 858 OD2 ASP A 57 -4.973 -15.579 -3.827 1.00 0.00 O ATOM 0 H ASP A 57 -5.258 -13.178 -4.881 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.084 -12.142 -2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.026 -14.211 -4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.416 -13.960 -2.907 1.00 0.00 H new ATOM 863 N ARG A 58 -1.939 -10.966 -3.178 1.00 0.00 N ATOM 864 CA ARG A 58 -0.820 -10.113 -3.542 1.00 0.00 C ATOM 865 C ARG A 58 -1.171 -9.274 -4.773 1.00 0.00 C ATOM 866 O ARG A 58 -0.326 -9.053 -5.639 1.00 0.00 O ATOM 867 CB ARG A 58 0.431 -10.943 -3.839 1.00 0.00 C ATOM 868 CG ARG A 58 0.556 -12.114 -2.863 1.00 0.00 C ATOM 869 CD ARG A 58 1.995 -12.634 -2.811 1.00 0.00 C ATOM 870 NE ARG A 58 2.205 -13.420 -1.575 1.00 0.00 N ATOM 871 CZ ARG A 58 3.203 -14.298 -1.404 1.00 0.00 C ATOM 872 NH1 ARG A 58 4.087 -14.507 -2.389 1.00 0.00 N ATOM 873 NH2 ARG A 58 3.316 -14.967 -0.249 1.00 0.00 N ATOM 0 H ARG A 58 -2.118 -11.030 -2.176 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.614 -9.456 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.388 -11.320 -4.861 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.316 -10.311 -3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.244 -11.797 -1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.114 -12.918 -3.167 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.198 -13.253 -3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.694 -11.798 -2.843 1.00 0.00 H new ATOM 0 HE ARG A 58 1.549 -13.285 -0.805 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.000 -13.998 -3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.847 -15.175 -2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.642 -14.808 0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.076 -15.635 -0.119 1.00 0.00 H new ATOM 887 N CYS A 59 -2.419 -8.831 -4.811 1.00 0.00 N ATOM 888 CA CYS A 59 -2.892 -8.022 -5.921 1.00 0.00 C ATOM 889 C CYS A 59 -2.573 -6.556 -5.617 1.00 0.00 C ATOM 890 O CYS A 59 -2.486 -5.734 -6.528 1.00 0.00 O ATOM 891 CB CYS A 59 -4.383 -8.239 -6.185 1.00 0.00 C ATOM 892 SG CYS A 59 -5.498 -7.524 -4.921 1.00 0.00 S ATOM 0 H CYS A 59 -3.117 -9.017 -4.091 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.381 -8.322 -6.836 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.632 -7.808 -7.155 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.574 -9.310 -6.253 1.00 0.00 H new ATOM 897 N ASN A 60 -2.409 -6.274 -4.333 1.00 0.00 N ATOM 898 CA ASN A 60 -2.102 -4.922 -3.898 1.00 0.00 C ATOM 899 C ASN A 60 -0.588 -4.775 -3.735 1.00 0.00 C ATOM 900 O ASN A 60 -0.115 -4.278 -2.714 1.00 0.00 O ATOM 901 CB ASN A 60 -2.755 -4.616 -2.548 1.00 0.00 C ATOM 902 CG ASN A 60 -2.113 -5.441 -1.430 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.834 -6.619 -1.574 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.896 -4.757 -0.310 1.00 0.00 N ATOM 0 H ASN A 60 -2.483 -6.958 -3.580 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.485 -4.231 -4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.656 -3.554 -2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.822 -4.833 -2.598 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.472 -5.218 0.495 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.154 -3.772 -0.256 1.00 0.00 H new ATOM 911 N ASN A 61 0.131 -5.215 -4.757 1.00 0.00 N ATOM 912 CA ASN A 61 1.582 -5.138 -4.740 1.00 0.00 C ATOM 913 C ASN A 61 2.023 -3.782 -5.295 1.00 0.00 C ATOM 914 O ASN A 61 1.195 -3.158 -5.993 1.00 0.00 O ATOM 915 CB ASN A 61 2.201 -6.231 -5.614 1.00 0.00 C ATOM 916 CG ASN A 61 1.705 -6.126 -7.057 1.00 0.00 C ATOM 917 OD1 ASN A 61 0.557 -5.814 -7.325 1.00 0.00 O ATOM 918 ND2 ASN A 61 2.633 -6.403 -7.969 1.00 0.00 N ATOM 919 OXT ASN A 61 3.179 -3.401 -5.009 1.00 0.00 O ATOM 0 H ASN A 61 -0.264 -5.626 -5.603 1.00 0.00 H new ATOM 0 HA ASN A 61 1.915 -5.268 -3.710 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.288 -6.147 -5.592 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.949 -7.211 -5.210 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.401 -6.361 -8.961 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.576 -6.658 -7.676 1.00 0.00 H new TER 926 ASN A 61