USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=16 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= -4.2! C(o=-4.2!,f=-8.5!) USER MOD Set 2.1: A 5 ASN : amide:sc= -1.8! C(o=-0.95!,f=-12!) USER MOD Set 2.2: A 13 THR OG1 : rot 94:sc= 0.846 USER MOD Set 3.1: A 4 HIS : no HE2:sc= -6.84! C(o=-13!,f=-15!) USER MOD Set 3.2: A 6 GLN :FLIP amide:sc= -6.63! C(o=-17!,f=-13!) USER MOD Single : A 1 LEU N :NH3+ 138:sc= 0.022 (180deg=0.00779) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 8 SER OG : rot 180:sc= -0.299 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0126 K(o=-0.013,f=-0.88) 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= 0.00546 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -31:sc= 0.83 USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= -1.34 (180deg=-1.87!) USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= -4.56! (180deg=-5.06!) USER MOD Single : A 29 SER OG : rot 180:sc= -0.0495 USER MOD Single : A 31 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.00086) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.297 K(o=-0.3,f=-0.87!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.67! USER MOD Single : A 60 ASN : amide:sc= -1.22! C(o=-1.2!,f=-17!) USER MOD Single : A 61 ASN : amide:sc= -0.515 K(o=-0.51,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.243 -15.258 2.094 1.00 0.00 N ATOM 2 CA LEU A 1 -5.855 -14.261 1.111 1.00 0.00 C ATOM 3 C LEU A 1 -4.675 -13.451 1.650 1.00 0.00 C ATOM 4 O LEU A 1 -4.674 -13.047 2.813 1.00 0.00 O ATOM 5 CB LEU A 1 -7.059 -13.405 0.714 1.00 0.00 C ATOM 6 CG LEU A 1 -6.755 -12.180 -0.152 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.565 -12.577 -1.617 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.833 -11.108 0.017 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.280 -15.301 2.154 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.873 -16.188 1.810 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.853 -15.000 3.023 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.518 -14.742 0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.768 -14.037 0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.556 -13.068 1.624 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.814 -11.747 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.350 -11.688 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.734 -13.278 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.475 -13.049 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.593 -10.249 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.800 -11.514 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.875 -10.796 1.061 1.00 0.00 H new ATOM 22 N GLU A 2 -3.699 -13.236 0.781 1.00 0.00 N ATOM 23 CA GLU A 2 -2.515 -12.481 1.155 1.00 0.00 C ATOM 24 C GLU A 2 -2.504 -11.126 0.445 1.00 0.00 C ATOM 25 O GLU A 2 -2.933 -11.019 -0.702 1.00 0.00 O ATOM 26 CB GLU A 2 -1.241 -13.272 0.850 1.00 0.00 C ATOM 27 CG GLU A 2 -1.296 -14.665 1.480 1.00 0.00 C ATOM 28 CD GLU A 2 -2.254 -15.577 0.711 1.00 0.00 C ATOM 29 OE1 GLU A 2 -1.916 -15.910 -0.445 1.00 0.00 O ATOM 30 OE2 GLU A 2 -3.304 -15.920 1.297 1.00 0.00 O ATOM 0 H GLU A 2 -3.704 -13.572 -0.182 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.544 -12.305 2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.114 -13.362 -0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.374 -12.732 1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.298 -15.104 1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.618 -14.586 2.518 1.00 0.00 H new ATOM 37 N CYS A 3 -2.007 -10.125 1.157 1.00 0.00 N ATOM 38 CA CYS A 3 -1.934 -8.781 0.610 1.00 0.00 C ATOM 39 C CYS A 3 -0.579 -8.181 0.991 1.00 0.00 C ATOM 40 O CYS A 3 -0.124 -8.335 2.123 1.00 0.00 O ATOM 41 CB CYS A 3 -3.098 -7.911 1.087 1.00 0.00 C ATOM 42 SG CYS A 3 -4.738 -8.723 1.025 1.00 0.00 S ATOM 0 H CYS A 3 -1.651 -10.218 2.108 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.020 -8.823 -0.476 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.902 -7.597 2.112 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.132 -7.008 0.478 1.00 0.00 H new ATOM 47 N HIS A 4 0.027 -7.508 0.023 1.00 0.00 N ATOM 48 CA HIS A 4 1.321 -6.884 0.243 1.00 0.00 C ATOM 49 C HIS A 4 1.208 -5.852 1.367 1.00 0.00 C ATOM 50 O HIS A 4 0.168 -5.215 1.528 1.00 0.00 O ATOM 51 CB HIS A 4 1.864 -6.287 -1.057 1.00 0.00 C ATOM 52 CG HIS A 4 2.562 -7.287 -1.947 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.934 -7.469 -1.937 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.064 -8.156 -2.873 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.237 -8.408 -2.822 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.077 -8.832 -3.401 1.00 0.00 N ATOM 0 H HIS A 4 -0.354 -7.381 -0.915 1.00 0.00 H new ATOM 0 HA HIS A 4 2.043 -7.637 0.559 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.040 -5.837 -1.610 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.560 -5.485 -0.813 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.599 -6.966 -1.349 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.022 -8.274 -3.133 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.228 -8.773 -3.045 1.00 0.00 H new ATOM 65 N ASN A 5 2.293 -5.720 2.116 1.00 0.00 N ATOM 66 CA ASN A 5 2.329 -4.776 3.221 1.00 0.00 C ATOM 67 C ASN A 5 3.601 -3.933 3.124 1.00 0.00 C ATOM 68 O ASN A 5 3.987 -3.271 4.087 1.00 0.00 O ATOM 69 CB ASN A 5 2.345 -5.504 4.566 1.00 0.00 C ATOM 70 CG ASN A 5 3.759 -5.971 4.920 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.391 -6.723 4.197 1.00 0.00 O ATOM 72 ND2 ASN A 5 4.218 -5.484 6.069 1.00 0.00 N ATOM 0 H ASN A 5 3.153 -6.251 1.980 1.00 0.00 H new ATOM 0 HA ASN A 5 1.438 -4.151 3.160 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.971 -4.842 5.347 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.674 -6.362 4.527 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.152 -5.736 6.393 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.636 -4.858 6.626 1.00 0.00 H new ATOM 79 N GLN A 6 4.219 -3.983 1.953 1.00 0.00 N ATOM 80 CA GLN A 6 5.440 -3.231 1.718 1.00 0.00 C ATOM 81 C GLN A 6 5.121 -1.748 1.523 1.00 0.00 C ATOM 82 O GLN A 6 4.094 -1.401 0.941 1.00 0.00 O ATOM 83 CB GLN A 6 6.205 -3.790 0.516 1.00 0.00 C ATOM 84 CG GLN A 6 5.272 -4.002 -0.678 1.00 0.00 C ATOM 85 CD GLN A 6 6.016 -3.792 -1.998 1.00 0.00 C ATOM 86 OE1 GLN A 6 5.978 -4.842 -2.814 1.00 0.00 O flip ATOM 87 NE2 GLN A 6 6.587 -2.746 -2.260 1.00 0.00 N flip ATOM 0 H GLN A 6 3.897 -4.533 1.157 1.00 0.00 H new ATOM 0 HA GLN A 6 6.080 -3.332 2.594 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.006 -3.104 0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.675 -4.735 0.787 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.858 -5.010 -0.646 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.432 -3.310 -0.615 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.578 -1.978 -1.589 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.073 -2.640 -3.150 1.00 0.00 H new ATOM 96 N GLN A 7 6.021 -0.912 2.020 1.00 0.00 N ATOM 97 CA GLN A 7 5.848 0.527 1.908 1.00 0.00 C ATOM 98 C GLN A 7 6.807 1.096 0.861 1.00 0.00 C ATOM 99 O GLN A 7 7.815 0.472 0.533 1.00 0.00 O ATOM 100 CB GLN A 7 6.046 1.210 3.262 1.00 0.00 C ATOM 101 CG GLN A 7 6.392 2.690 3.084 1.00 0.00 C ATOM 102 CD GLN A 7 6.597 3.372 4.438 1.00 0.00 C ATOM 103 OE1 GLN A 7 6.712 2.734 5.472 1.00 0.00 O ATOM 104 NE2 GLN A 7 6.637 4.699 4.375 1.00 0.00 N ATOM 0 H GLN A 7 6.872 -1.203 2.501 1.00 0.00 H new ATOM 0 HA GLN A 7 4.827 0.727 1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.138 1.114 3.858 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.843 0.710 3.812 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.297 2.786 2.484 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.593 3.191 2.538 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.534 5.170 3.476 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.771 5.246 5.225 1.00 0.00 H new ATOM 113 N SER A 8 6.460 2.275 0.365 1.00 0.00 N ATOM 114 CA SER A 8 7.277 2.935 -0.638 1.00 0.00 C ATOM 115 C SER A 8 7.921 1.895 -1.557 1.00 0.00 C ATOM 116 O SER A 8 7.244 0.996 -2.053 1.00 0.00 O ATOM 117 CB SER A 8 8.353 3.806 0.014 1.00 0.00 C ATOM 118 OG SER A 8 7.821 4.624 1.052 1.00 0.00 O ATOM 0 H SER A 8 5.623 2.790 0.640 1.00 0.00 H new ATOM 0 HA SER A 8 6.632 3.584 -1.231 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.138 3.169 0.421 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.816 4.438 -0.744 1.00 0.00 H new ATOM 0 HG SER A 8 8.539 5.163 1.444 1.00 0.00 H new ATOM 124 N SER A 9 9.222 2.051 -1.755 1.00 0.00 N ATOM 125 CA SER A 9 9.965 1.136 -2.605 1.00 0.00 C ATOM 126 C SER A 9 10.580 0.019 -1.759 1.00 0.00 C ATOM 127 O SER A 9 11.248 -0.868 -2.288 1.00 0.00 O ATOM 128 CB SER A 9 11.055 1.873 -3.386 1.00 0.00 C ATOM 129 OG SER A 9 10.539 3.000 -4.089 1.00 0.00 O ATOM 0 H SER A 9 9.781 2.797 -1.341 1.00 0.00 H new ATOM 0 HA SER A 9 9.273 0.698 -3.325 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.835 2.201 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.521 1.187 -4.093 1.00 0.00 H new ATOM 0 HG SER A 9 11.266 3.444 -4.573 1.00 0.00 H new ATOM 135 N GLN A 10 10.333 0.099 -0.460 1.00 0.00 N ATOM 136 CA GLN A 10 10.854 -0.894 0.463 1.00 0.00 C ATOM 137 C GLN A 10 10.660 -2.301 -0.105 1.00 0.00 C ATOM 138 O GLN A 10 9.957 -2.481 -1.098 1.00 0.00 O ATOM 139 CB GLN A 10 10.196 -0.762 1.839 1.00 0.00 C ATOM 140 CG GLN A 10 10.152 0.700 2.288 1.00 0.00 C ATOM 141 CD GLN A 10 10.222 0.807 3.812 1.00 0.00 C ATOM 142 OE1 GLN A 10 9.983 -0.143 4.539 1.00 0.00 O ATOM 143 NE2 GLN A 10 10.561 2.015 4.254 1.00 0.00 N ATOM 0 H GLN A 10 9.779 0.836 -0.025 1.00 0.00 H new ATOM 0 HA GLN A 10 11.922 -0.719 0.589 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.184 -1.165 1.802 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.749 -1.354 2.569 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.984 1.246 1.843 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.235 1.167 1.929 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.748 2.767 3.591 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.634 2.189 5.256 1.00 0.00 H new ATOM 152 N PRO A 11 11.295 -3.262 0.550 1.00 0.00 N ATOM 153 CA PRO A 11 11.252 -4.679 0.184 1.00 0.00 C ATOM 154 C PRO A 11 9.806 -5.178 0.206 1.00 0.00 C ATOM 155 O PRO A 11 9.110 -5.026 1.209 1.00 0.00 O ATOM 156 CB PRO A 11 12.056 -5.364 1.291 1.00 0.00 C ATOM 157 CG PRO A 11 12.967 -4.282 1.793 1.00 0.00 C ATOM 158 CD PRO A 11 12.130 -3.035 1.732 1.00 0.00 C ATOM 0 HA PRO A 11 11.646 -4.875 -0.813 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.408 -5.740 2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.619 -6.215 0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.304 -4.486 2.809 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.859 -4.193 1.173 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.530 -2.906 2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.744 -2.140 1.628 1.00 0.00 H new ATOM 166 N PRO A 12 9.396 -5.762 -0.910 1.00 0.00 N ATOM 167 CA PRO A 12 8.054 -6.312 -1.110 1.00 0.00 C ATOM 168 C PRO A 12 7.772 -7.390 -0.062 1.00 0.00 C ATOM 169 O PRO A 12 8.548 -8.333 0.086 1.00 0.00 O ATOM 170 CB PRO A 12 8.125 -6.944 -2.501 1.00 0.00 C ATOM 171 CG PRO A 12 9.224 -6.183 -3.184 1.00 0.00 C ATOM 172 CD PRO A 12 10.233 -5.937 -2.099 1.00 0.00 C ATOM 0 HA PRO A 12 7.268 -5.562 -1.021 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.350 -8.009 -2.446 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.179 -6.846 -3.034 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.654 -6.756 -4.005 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.857 -5.247 -3.606 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.921 -6.775 -1.989 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.837 -5.053 -2.302 1.00 0.00 H new ATOM 180 N THR A 13 6.661 -7.216 0.638 1.00 0.00 N ATOM 181 CA THR A 13 6.269 -8.164 1.668 1.00 0.00 C ATOM 182 C THR A 13 4.788 -8.521 1.528 1.00 0.00 C ATOM 183 O THR A 13 4.084 -7.950 0.696 1.00 0.00 O ATOM 184 CB THR A 13 6.622 -7.557 3.028 1.00 0.00 C ATOM 185 OG1 THR A 13 6.315 -6.173 2.881 1.00 0.00 O ATOM 186 CG2 THR A 13 8.127 -7.578 3.305 1.00 0.00 C ATOM 0 H THR A 13 6.020 -6.433 0.513 1.00 0.00 H new ATOM 0 HA THR A 13 6.809 -9.105 1.566 1.00 0.00 H new ATOM 0 HB THR A 13 6.100 -8.101 3.815 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.406 -6.003 3.205 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.323 -7.136 4.282 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.485 -8.608 3.294 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.646 -7.005 2.537 1.00 0.00 H new ATOM 194 N THR A 14 4.359 -9.463 2.355 1.00 0.00 N ATOM 195 CA THR A 14 2.974 -9.903 2.334 1.00 0.00 C ATOM 196 C THR A 14 2.505 -10.254 3.747 1.00 0.00 C ATOM 197 O THR A 14 3.319 -10.548 4.621 1.00 0.00 O ATOM 198 CB THR A 14 2.863 -11.068 1.350 1.00 0.00 C ATOM 199 OG1 THR A 14 4.064 -11.809 1.552 1.00 0.00 O ATOM 200 CG2 THR A 14 2.947 -10.614 -0.109 1.00 0.00 C ATOM 0 H THR A 14 4.946 -9.934 3.044 1.00 0.00 H new ATOM 0 HA THR A 14 2.311 -9.107 1.994 1.00 0.00 H new ATOM 0 HB THR A 14 1.921 -11.591 1.513 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.074 -12.585 0.954 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.863 -11.480 -0.765 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.135 -9.918 -0.321 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.903 -10.120 -0.282 1.00 0.00 H new ATOM 208 N LYS A 15 1.193 -10.211 3.928 1.00 0.00 N ATOM 209 CA LYS A 15 0.605 -10.521 5.220 1.00 0.00 C ATOM 210 C LYS A 15 -0.769 -11.160 5.011 1.00 0.00 C ATOM 211 O LYS A 15 -1.456 -10.858 4.036 1.00 0.00 O ATOM 212 CB LYS A 15 0.575 -9.275 6.108 1.00 0.00 C ATOM 213 CG LYS A 15 -0.399 -8.232 5.556 1.00 0.00 C ATOM 214 CD LYS A 15 -0.662 -7.130 6.584 1.00 0.00 C ATOM 215 CE LYS A 15 0.589 -6.848 7.418 1.00 0.00 C ATOM 216 NZ LYS A 15 0.448 -5.568 8.148 1.00 0.00 N ATOM 0 H LYS A 15 0.521 -9.966 3.201 1.00 0.00 H new ATOM 0 HA LYS A 15 1.218 -11.249 5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.281 -9.552 7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.575 -8.846 6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.009 -7.795 4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.339 -8.714 5.285 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.976 -6.219 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.481 -7.427 7.239 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.752 -7.661 8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.464 -6.809 6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.306 -5.392 8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.314 -4.793 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.375 -5.618 8.781 1.00 0.00 H new ATOM 230 N THR A 16 -1.130 -12.032 5.942 1.00 0.00 N ATOM 231 CA THR A 16 -2.409 -12.716 5.871 1.00 0.00 C ATOM 232 C THR A 16 -3.538 -11.782 6.312 1.00 0.00 C ATOM 233 O THR A 16 -3.480 -11.199 7.394 1.00 0.00 O ATOM 234 CB THR A 16 -2.311 -13.990 6.712 1.00 0.00 C ATOM 235 OG1 THR A 16 -1.022 -14.511 6.403 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.276 -15.079 6.239 1.00 0.00 C ATOM 0 H THR A 16 -0.558 -12.280 6.749 1.00 0.00 H new ATOM 0 HA THR A 16 -2.648 -13.003 4.847 1.00 0.00 H new ATOM 0 HB THR A 16 -2.515 -13.753 7.756 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.874 -15.338 6.907 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.166 -15.961 6.869 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.300 -14.711 6.305 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.050 -15.341 5.205 1.00 0.00 H new ATOM 244 N CYS A 17 -4.540 -11.669 5.452 1.00 0.00 N ATOM 245 CA CYS A 17 -5.680 -10.816 5.740 1.00 0.00 C ATOM 246 C CYS A 17 -6.613 -11.566 6.693 1.00 0.00 C ATOM 247 O CYS A 17 -7.078 -12.660 6.378 1.00 0.00 O ATOM 248 CB CYS A 17 -6.400 -10.383 4.461 1.00 0.00 C ATOM 249 SG CYS A 17 -5.295 -9.974 3.060 1.00 0.00 S ATOM 0 H CYS A 17 -4.586 -12.154 4.556 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.338 -9.897 6.216 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.075 -11.182 4.152 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.017 -9.513 4.685 1.00 0.00 H new ATOM 254 N SER A 18 -6.859 -10.947 7.838 1.00 0.00 N ATOM 255 CA SER A 18 -7.727 -11.543 8.839 1.00 0.00 C ATOM 256 C SER A 18 -9.104 -10.876 8.801 1.00 0.00 C ATOM 257 O SER A 18 -9.227 -9.682 9.068 1.00 0.00 O ATOM 258 CB SER A 18 -7.119 -11.423 10.238 1.00 0.00 C ATOM 259 OG SER A 18 -8.014 -11.875 11.250 1.00 0.00 O ATOM 0 H SER A 18 -6.472 -10.039 8.095 1.00 0.00 H new ATOM 0 HA SER A 18 -7.836 -12.603 8.609 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.197 -12.003 10.284 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.851 -10.384 10.429 1.00 0.00 H new ATOM 0 HG SER A 18 -7.588 -11.784 12.128 1.00 0.00 H new ATOM 265 N GLY A 19 -10.105 -11.678 8.466 1.00 0.00 N ATOM 266 CA GLY A 19 -11.468 -11.180 8.389 1.00 0.00 C ATOM 267 C GLY A 19 -11.701 -10.419 7.082 1.00 0.00 C ATOM 268 O GLY A 19 -12.839 -10.108 6.735 1.00 0.00 O ATOM 0 H GLY A 19 -9.999 -12.668 8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.168 -12.013 8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.668 -10.524 9.236 1.00 0.00 H new ATOM 272 N GLU A 20 -10.604 -10.141 6.393 1.00 0.00 N ATOM 273 CA GLU A 20 -10.674 -9.422 5.132 1.00 0.00 C ATOM 274 C GLU A 20 -10.489 -10.388 3.960 1.00 0.00 C ATOM 275 O GLU A 20 -9.941 -11.476 4.127 1.00 0.00 O ATOM 276 CB GLU A 20 -9.639 -8.297 5.084 1.00 0.00 C ATOM 277 CG GLU A 20 -9.535 -7.589 6.436 1.00 0.00 C ATOM 278 CD GLU A 20 -8.236 -6.788 6.537 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.170 -7.439 6.590 1.00 0.00 O ATOM 280 OE2 GLU A 20 -8.337 -5.542 6.560 1.00 0.00 O ATOM 0 H GLU A 20 -9.662 -10.401 6.684 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.661 -8.966 5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.667 -8.704 4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.914 -7.577 4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.388 -6.923 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.576 -8.324 7.240 1.00 0.00 H new ATOM 287 N THR A 21 -10.958 -9.955 2.798 1.00 0.00 N ATOM 288 CA THR A 21 -10.851 -10.768 1.599 1.00 0.00 C ATOM 289 C THR A 21 -10.458 -9.901 0.401 1.00 0.00 C ATOM 290 O THR A 21 -10.597 -10.322 -0.747 1.00 0.00 O ATOM 291 CB THR A 21 -12.179 -11.504 1.406 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.167 -10.516 1.685 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.413 -12.576 2.472 1.00 0.00 C ATOM 0 H THR A 21 -11.413 -9.052 2.662 1.00 0.00 H new ATOM 0 HA THR A 21 -10.061 -11.513 1.695 1.00 0.00 H new ATOM 0 HB THR A 21 -12.200 -11.963 0.418 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.059 -10.908 1.582 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.368 -13.068 2.290 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.611 -13.313 2.429 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.427 -12.112 3.458 1.00 0.00 H new ATOM 301 N ASN A 22 -9.976 -8.706 0.709 1.00 0.00 N ATOM 302 CA ASN A 22 -9.561 -7.776 -0.328 1.00 0.00 C ATOM 303 C ASN A 22 -8.216 -7.156 0.056 1.00 0.00 C ATOM 304 O ASN A 22 -7.875 -7.087 1.236 1.00 0.00 O ATOM 305 CB ASN A 22 -10.576 -6.642 -0.489 1.00 0.00 C ATOM 306 CG ASN A 22 -11.950 -7.188 -0.885 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.307 -7.256 -2.050 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.697 -7.571 0.146 1.00 0.00 N ATOM 0 H ASN A 22 -9.863 -8.360 1.662 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.485 -8.328 -1.265 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.657 -6.086 0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.227 -5.941 -1.247 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.631 -7.949 -0.013 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.336 -7.487 1.096 1.00 0.00 H new ATOM 315 N CYS A 23 -7.489 -6.721 -0.962 1.00 0.00 N ATOM 316 CA CYS A 23 -6.189 -6.110 -0.746 1.00 0.00 C ATOM 317 C CYS A 23 -6.254 -4.659 -1.229 1.00 0.00 C ATOM 318 O CYS A 23 -6.808 -4.379 -2.291 1.00 0.00 O ATOM 319 CB CYS A 23 -5.073 -6.893 -1.440 1.00 0.00 C ATOM 320 SG CYS A 23 -5.039 -8.682 -1.059 1.00 0.00 S ATOM 0 H CYS A 23 -7.776 -6.780 -1.939 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.948 -6.128 0.317 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.176 -6.767 -2.518 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.114 -6.458 -1.159 1.00 0.00 H new ATOM 325 N TYR A 24 -5.681 -3.775 -0.426 1.00 0.00 N ATOM 326 CA TYR A 24 -5.667 -2.361 -0.758 1.00 0.00 C ATOM 327 C TYR A 24 -4.239 -1.869 -1.002 1.00 0.00 C ATOM 328 O TYR A 24 -3.286 -2.420 -0.452 1.00 0.00 O ATOM 329 CB TYR A 24 -6.242 -1.636 0.460 1.00 0.00 C ATOM 330 CG TYR A 24 -5.253 -1.482 1.618 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.391 -0.405 1.650 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.223 -2.421 2.629 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.460 -0.260 2.739 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.292 -2.276 3.718 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.457 -1.203 3.719 1.00 0.00 C ATOM 336 OH TYR A 24 -2.578 -1.067 4.748 1.00 0.00 O ATOM 0 H TYR A 24 -5.223 -4.011 0.454 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.241 -2.174 -1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.583 -0.647 0.154 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.118 -2.180 0.814 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.415 0.329 0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.897 -3.264 2.603 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.780 0.578 2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.258 -3.003 4.516 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.767 -0.618 4.429 1.00 0.00 H new ATOM 346 N LYS A 25 -4.135 -0.837 -1.826 1.00 0.00 N ATOM 347 CA LYS A 25 -2.839 -0.265 -2.149 1.00 0.00 C ATOM 348 C LYS A 25 -2.936 1.262 -2.107 1.00 0.00 C ATOM 349 O LYS A 25 -3.670 1.863 -2.890 1.00 0.00 O ATOM 350 CB LYS A 25 -2.330 -0.812 -3.484 1.00 0.00 C ATOM 351 CG LYS A 25 -1.167 0.030 -4.014 1.00 0.00 C ATOM 352 CD LYS A 25 -0.406 -0.715 -5.112 1.00 0.00 C ATOM 353 CE LYS A 25 0.523 0.232 -5.875 1.00 0.00 C ATOM 354 NZ LYS A 25 1.530 0.816 -4.962 1.00 0.00 N ATOM 0 H LYS A 25 -4.927 -0.382 -2.280 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.097 -0.559 -1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.008 -1.846 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.141 -0.817 -4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.546 0.974 -4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.488 0.273 -3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.176 -1.524 -4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.114 -1.172 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.022 -0.308 -6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.060 1.027 -6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.785 1.769 -5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.135 0.875 -4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.379 0.215 -4.951 1.00 0.00 H new ATOM 368 N LYS A 26 -2.184 1.845 -1.185 1.00 0.00 N ATOM 369 CA LYS A 26 -2.176 3.290 -1.030 1.00 0.00 C ATOM 370 C LYS A 26 -0.829 3.841 -1.501 1.00 0.00 C ATOM 371 O LYS A 26 0.214 3.237 -1.254 1.00 0.00 O ATOM 372 CB LYS A 26 -2.530 3.677 0.407 1.00 0.00 C ATOM 373 CG LYS A 26 -3.555 2.708 0.999 1.00 0.00 C ATOM 374 CD LYS A 26 -4.134 3.253 2.306 1.00 0.00 C ATOM 375 CE LYS A 26 -3.022 3.748 3.234 1.00 0.00 C ATOM 376 NZ LYS A 26 -2.239 2.608 3.759 1.00 0.00 N ATOM 0 H LYS A 26 -1.576 1.343 -0.538 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.944 3.745 -1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.629 3.678 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.929 4.691 0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.359 2.541 0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.085 1.742 1.181 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.823 4.070 2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.710 2.474 2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.365 4.429 2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.454 4.311 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.616 2.938 4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.887 1.883 4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.663 2.201 2.994 1.00 0.00 H new ATOM 390 N TRP A 27 -0.894 4.982 -2.171 1.00 0.00 N ATOM 391 CA TRP A 27 0.308 5.622 -2.680 1.00 0.00 C ATOM 392 C TRP A 27 -0.018 7.092 -2.951 1.00 0.00 C ATOM 393 O TRP A 27 -1.125 7.418 -3.375 1.00 0.00 O ATOM 394 CB TRP A 27 0.839 4.889 -3.914 1.00 0.00 C ATOM 395 CG TRP A 27 -0.016 5.083 -5.168 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.153 5.978 -6.151 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.187 4.325 -5.536 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.820 5.852 -7.122 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.661 4.815 -6.736 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.826 3.259 -4.877 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.792 4.301 -7.381 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.955 2.757 -5.534 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.444 3.240 -6.743 1.00 0.00 C ATOM 0 H TRP A 27 -1.761 5.480 -2.374 1.00 0.00 H new ATOM 0 HA TRP A 27 1.112 5.574 -1.945 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.852 5.233 -4.121 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.903 3.824 -3.692 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.950 6.706 -6.180 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.906 6.416 -7.967 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.473 2.859 -3.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.143 4.702 -8.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.483 1.937 -5.070 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.323 2.798 -7.188 1.00 0.00 H new ATOM 414 N TRP A 28 0.968 7.940 -2.695 1.00 0.00 N ATOM 415 CA TRP A 28 0.800 9.367 -2.906 1.00 0.00 C ATOM 416 C TRP A 28 2.191 9.995 -3.018 1.00 0.00 C ATOM 417 O TRP A 28 3.196 9.334 -2.766 1.00 0.00 O ATOM 418 CB TRP A 28 -0.050 9.990 -1.796 1.00 0.00 C ATOM 419 CG TRP A 28 0.602 9.943 -0.413 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.278 10.915 0.214 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.611 8.821 0.495 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.721 10.503 1.455 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.302 9.189 1.631 1.00 0.00 C ATOM 424 CE3 TRP A 28 0.054 7.537 0.361 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.501 8.332 2.720 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.261 6.692 1.458 1.00 0.00 C ATOM 427 CH2 TRP A 28 0.955 7.048 2.608 1.00 0.00 C ATOM 0 H TRP A 28 1.885 7.666 -2.344 1.00 0.00 H new ATOM 0 HA TRP A 28 0.256 9.559 -3.831 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.260 11.028 -2.052 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.008 9.473 -1.752 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.454 11.897 -0.199 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.257 11.060 2.120 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.491 7.227 -0.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.046 8.644 3.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.147 5.693 1.407 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.073 6.337 3.412 1.00 0.00 H new ATOM 438 N SER A 29 2.203 11.265 -3.395 1.00 0.00 N ATOM 439 CA SER A 29 3.454 11.990 -3.543 1.00 0.00 C ATOM 440 C SER A 29 3.648 12.944 -2.363 1.00 0.00 C ATOM 441 O SER A 29 2.678 13.379 -1.745 1.00 0.00 O ATOM 442 CB SER A 29 3.489 12.764 -4.863 1.00 0.00 C ATOM 443 OG SER A 29 4.404 13.855 -4.817 1.00 0.00 O ATOM 0 H SER A 29 1.367 11.811 -3.602 1.00 0.00 H new ATOM 0 HA SER A 29 4.269 11.267 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.770 12.089 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.491 13.137 -5.091 1.00 0.00 H new ATOM 0 HG SER A 29 4.399 14.323 -5.678 1.00 0.00 H new ATOM 449 N ASP A 30 4.909 13.242 -2.086 1.00 0.00 N ATOM 450 CA ASP A 30 5.244 14.136 -0.991 1.00 0.00 C ATOM 451 C ASP A 30 6.507 14.922 -1.348 1.00 0.00 C ATOM 452 O ASP A 30 7.207 14.581 -2.300 1.00 0.00 O ATOM 453 CB ASP A 30 5.522 13.354 0.294 1.00 0.00 C ATOM 454 CG ASP A 30 5.245 14.119 1.590 1.00 0.00 C ATOM 455 OD1 ASP A 30 4.053 14.199 1.958 1.00 0.00 O ATOM 456 OD2 ASP A 30 6.232 14.606 2.183 1.00 0.00 O ATOM 0 H ASP A 30 5.711 12.880 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 30 4.398 14.804 -0.831 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.916 12.448 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.566 13.040 0.291 1.00 0.00 H new ATOM 461 N HIS A 31 6.760 15.961 -0.565 1.00 0.00 N ATOM 462 CA HIS A 31 7.926 16.799 -0.787 1.00 0.00 C ATOM 463 C HIS A 31 9.196 15.998 -0.494 1.00 0.00 C ATOM 464 O HIS A 31 10.301 16.444 -0.801 1.00 0.00 O ATOM 465 CB HIS A 31 7.834 18.086 0.035 1.00 0.00 C ATOM 466 CG HIS A 31 6.520 18.814 -0.109 1.00 0.00 C ATOM 467 ND1 HIS A 31 6.343 19.880 -0.975 1.00 0.00 N ATOM 468 CD2 HIS A 31 5.320 18.619 0.510 1.00 0.00 C ATOM 469 CE1 HIS A 31 5.091 20.299 -0.872 1.00 0.00 C ATOM 470 NE2 HIS A 31 4.458 19.517 0.049 1.00 0.00 N ATOM 0 H HIS A 31 6.177 16.241 0.224 1.00 0.00 H new ATOM 0 HA HIS A 31 7.964 17.106 -1.832 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.991 17.845 1.086 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.642 18.754 -0.263 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.107 17.862 1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.649 21.117 -1.421 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.483 19.607 0.336 1.00 0.00 H new ATOM 479 N ARG A 32 8.997 14.828 0.096 1.00 0.00 N ATOM 480 CA ARG A 32 10.113 13.961 0.433 1.00 0.00 C ATOM 481 C ARG A 32 10.223 12.819 -0.580 1.00 0.00 C ATOM 482 O ARG A 32 11.311 12.298 -0.817 1.00 0.00 O ATOM 483 CB ARG A 32 9.950 13.374 1.837 1.00 0.00 C ATOM 484 CG ARG A 32 9.974 14.476 2.898 1.00 0.00 C ATOM 485 CD ARG A 32 11.403 14.963 3.150 1.00 0.00 C ATOM 486 NE ARG A 32 11.377 16.302 3.780 1.00 0.00 N ATOM 487 CZ ARG A 32 12.472 16.972 4.164 1.00 0.00 C ATOM 488 NH1 ARG A 32 13.686 16.433 3.984 1.00 0.00 N ATOM 489 NH2 ARG A 32 12.354 18.182 4.728 1.00 0.00 N ATOM 0 H ARG A 32 8.080 14.461 0.349 1.00 0.00 H new ATOM 0 HA ARG A 32 11.021 14.564 0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.010 12.825 1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.750 12.659 2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.353 15.311 2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.545 14.101 3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.928 14.258 3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.953 15.005 2.210 1.00 0.00 H new ATOM 0 HE ARG A 32 10.469 16.742 3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.777 15.512 3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.519 16.944 4.277 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.431 18.593 4.865 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.188 18.692 5.020 1.00 0.00 H new ATOM 503 N GLY A 33 9.081 12.465 -1.150 1.00 0.00 N ATOM 504 CA GLY A 33 9.035 11.394 -2.132 1.00 0.00 C ATOM 505 C GLY A 33 7.640 10.770 -2.197 1.00 0.00 C ATOM 506 O GLY A 33 6.712 11.244 -1.544 1.00 0.00 O ATOM 0 H GLY A 33 8.180 12.900 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.309 11.783 -3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.768 10.629 -1.876 1.00 0.00 H new ATOM 510 N THR A 34 7.536 9.715 -2.992 1.00 0.00 N ATOM 511 CA THR A 34 6.270 9.020 -3.152 1.00 0.00 C ATOM 512 C THR A 34 6.091 7.976 -2.048 1.00 0.00 C ATOM 513 O THR A 34 6.824 6.989 -1.998 1.00 0.00 O ATOM 514 CB THR A 34 6.230 8.427 -4.562 1.00 0.00 C ATOM 515 OG1 THR A 34 5.933 9.541 -5.399 1.00 0.00 O ATOM 516 CG2 THR A 34 5.045 7.481 -4.766 1.00 0.00 C ATOM 0 H THR A 34 8.308 9.325 -3.532 1.00 0.00 H new ATOM 0 HA THR A 34 5.428 9.704 -3.048 1.00 0.00 H new ATOM 0 HB THR A 34 7.159 7.892 -4.757 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.890 9.246 -6.333 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.064 7.088 -5.783 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.112 6.656 -4.057 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.114 8.024 -4.604 1.00 0.00 H new ATOM 524 N ILE A 35 5.114 8.229 -1.190 1.00 0.00 N ATOM 525 CA ILE A 35 4.830 7.323 -0.090 1.00 0.00 C ATOM 526 C ILE A 35 3.832 6.261 -0.555 1.00 0.00 C ATOM 527 O ILE A 35 2.813 6.585 -1.161 1.00 0.00 O ATOM 528 CB ILE A 35 4.368 8.104 1.142 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.408 9.150 1.550 1.00 0.00 C ATOM 530 CG2 ILE A 35 4.024 7.158 2.294 1.00 0.00 C ATOM 531 CD1 ILE A 35 5.088 9.732 2.928 1.00 0.00 C ATOM 0 H ILE A 35 4.509 9.049 -1.234 1.00 0.00 H new ATOM 0 HA ILE A 35 5.735 6.798 0.215 1.00 0.00 H new ATOM 0 HB ILE A 35 3.455 8.641 0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.399 8.697 1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.434 9.950 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.699 7.739 3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.223 6.486 1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.905 6.574 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.842 10.473 3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.107 10.206 2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.087 8.933 3.669 1.00 0.00 H new ATOM 543 N ILE A 36 4.161 5.013 -0.252 1.00 0.00 N ATOM 544 CA ILE A 36 3.306 3.901 -0.631 1.00 0.00 C ATOM 545 C ILE A 36 2.989 3.062 0.608 1.00 0.00 C ATOM 546 O ILE A 36 3.896 2.582 1.286 1.00 0.00 O ATOM 547 CB ILE A 36 3.942 3.101 -1.770 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.539 4.031 -2.827 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.939 2.115 -2.373 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.206 3.231 -3.948 1.00 0.00 C ATOM 0 H ILE A 36 5.008 4.748 0.251 1.00 0.00 H new ATOM 0 HA ILE A 36 2.356 4.266 -1.021 1.00 0.00 H new ATOM 0 HB ILE A 36 4.763 2.514 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.756 4.664 -3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.270 4.693 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.416 1.559 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.604 1.421 -1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.082 2.662 -2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.622 3.916 -4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.005 2.617 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.467 2.588 -4.426 1.00 0.00 H new ATOM 562 N GLU A 37 1.698 2.911 0.867 1.00 0.00 N ATOM 563 CA GLU A 37 1.250 2.138 2.012 1.00 0.00 C ATOM 564 C GLU A 37 0.146 1.164 1.596 1.00 0.00 C ATOM 565 O GLU A 37 -0.944 1.583 1.210 1.00 0.00 O ATOM 566 CB GLU A 37 0.774 3.056 3.141 1.00 0.00 C ATOM 567 CG GLU A 37 0.824 2.336 4.490 1.00 0.00 C ATOM 568 CD GLU A 37 0.348 0.888 4.357 1.00 0.00 C ATOM 569 OE1 GLU A 37 1.211 0.031 4.070 1.00 0.00 O ATOM 570 OE2 GLU A 37 -0.869 0.671 4.546 1.00 0.00 O ATOM 0 H GLU A 37 0.948 3.311 0.303 1.00 0.00 H new ATOM 0 HA GLU A 37 2.094 1.561 2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.399 3.948 3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.244 3.388 2.940 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.842 2.354 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.199 2.863 5.211 1.00 0.00 H new ATOM 577 N ARG A 38 0.467 -0.119 1.690 1.00 0.00 N ATOM 578 CA ARG A 38 -0.484 -1.156 1.328 1.00 0.00 C ATOM 579 C ARG A 38 -0.645 -2.153 2.477 1.00 0.00 C ATOM 580 O ARG A 38 0.210 -2.233 3.358 1.00 0.00 O ATOM 581 CB ARG A 38 -0.032 -1.904 0.073 1.00 0.00 C ATOM 582 CG ARG A 38 0.614 -0.948 -0.932 1.00 0.00 C ATOM 583 CD ARG A 38 0.781 -1.619 -2.298 1.00 0.00 C ATOM 584 NE ARG A 38 1.782 -2.705 -2.209 1.00 0.00 N ATOM 585 CZ ARG A 38 2.690 -2.969 -3.159 1.00 0.00 C ATOM 586 NH1 ARG A 38 2.729 -2.226 -4.274 1.00 0.00 N ATOM 587 NH2 ARG A 38 3.560 -3.975 -2.993 1.00 0.00 N ATOM 0 H ARG A 38 1.372 -0.463 2.011 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.440 -0.673 1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.678 -2.684 0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.887 -2.398 -0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.000 -0.053 -1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.586 -0.626 -0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.175 -2.021 -2.634 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.095 -0.883 -3.038 1.00 0.00 H new ATOM 0 HE ARG A 38 1.781 -3.289 -1.373 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.068 -1.460 -4.400 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.420 -2.427 -4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.531 -4.539 -2.144 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.251 -4.176 -3.716 1.00 0.00 H new ATOM 601 N GLY A 39 -1.747 -2.887 2.432 1.00 0.00 N ATOM 602 CA GLY A 39 -2.030 -3.876 3.458 1.00 0.00 C ATOM 603 C GLY A 39 -3.266 -4.703 3.097 1.00 0.00 C ATOM 604 O GLY A 39 -3.754 -4.636 1.970 1.00 0.00 O ATOM 0 H GLY A 39 -2.455 -2.817 1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.170 -4.535 3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.188 -3.378 4.415 1.00 0.00 H new ATOM 608 N CYS A 40 -3.737 -5.463 4.075 1.00 0.00 N ATOM 609 CA CYS A 40 -4.906 -6.301 3.874 1.00 0.00 C ATOM 610 C CYS A 40 -6.154 -5.455 4.131 1.00 0.00 C ATOM 611 O CYS A 40 -6.115 -4.507 4.914 1.00 0.00 O ATOM 612 CB CYS A 40 -4.868 -7.547 4.762 1.00 0.00 C ATOM 613 SG CYS A 40 -3.823 -8.909 4.129 1.00 0.00 S ATOM 0 H CYS A 40 -3.330 -5.516 5.009 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.922 -6.667 2.847 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.508 -7.261 5.750 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.885 -7.917 4.888 1.00 0.00 H new ATOM 618 N GLY A 41 -7.232 -5.828 3.457 1.00 0.00 N ATOM 619 CA GLY A 41 -8.490 -5.115 3.603 1.00 0.00 C ATOM 620 C GLY A 41 -8.655 -4.064 2.502 1.00 0.00 C ATOM 621 O GLY A 41 -7.906 -4.059 1.527 1.00 0.00 O ATOM 0 H GLY A 41 -7.260 -6.615 2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.319 -5.821 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.528 -4.633 4.580 1.00 0.00 H new ATOM 625 N CYS A 42 -9.640 -3.200 2.697 1.00 0.00 N ATOM 626 CA CYS A 42 -9.914 -2.147 1.733 1.00 0.00 C ATOM 627 C CYS A 42 -10.384 -0.907 2.497 1.00 0.00 C ATOM 628 O CYS A 42 -11.569 -0.579 2.484 1.00 0.00 O ATOM 629 CB CYS A 42 -10.934 -2.592 0.683 1.00 0.00 C ATOM 630 SG CYS A 42 -11.463 -1.279 -0.477 1.00 0.00 S ATOM 0 H CYS A 42 -10.258 -3.207 3.508 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.004 -1.910 1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.508 -3.415 0.109 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.814 -2.982 1.194 1.00 0.00 H new ATOM 635 N PRO A 43 -9.431 -0.253 3.144 1.00 0.00 N ATOM 636 CA PRO A 43 -9.656 0.957 3.937 1.00 0.00 C ATOM 637 C PRO A 43 -9.999 2.143 3.034 1.00 0.00 C ATOM 638 O PRO A 43 -10.062 2.000 1.814 1.00 0.00 O ATOM 639 CB PRO A 43 -8.313 1.177 4.637 1.00 0.00 C ATOM 640 CG PRO A 43 -7.319 0.551 3.704 1.00 0.00 C ATOM 641 CD PRO A 43 -8.023 -0.657 3.151 1.00 0.00 C ATOM 0 HA PRO A 43 -10.489 0.861 4.633 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.109 2.237 4.787 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.292 0.706 5.620 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.033 1.240 2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.405 0.271 4.228 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.671 -0.905 2.150 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.860 -1.537 3.773 1.00 0.00 H new ATOM 649 N LYS A 44 -10.212 3.287 3.667 1.00 0.00 N ATOM 650 CA LYS A 44 -10.547 4.497 2.935 1.00 0.00 C ATOM 651 C LYS A 44 -9.409 5.508 3.081 1.00 0.00 C ATOM 652 O LYS A 44 -8.823 5.638 4.155 1.00 0.00 O ATOM 653 CB LYS A 44 -11.908 5.034 3.382 1.00 0.00 C ATOM 654 CG LYS A 44 -11.963 5.191 4.903 1.00 0.00 C ATOM 655 CD LYS A 44 -13.148 6.063 5.322 1.00 0.00 C ATOM 656 CE LYS A 44 -13.071 7.444 4.668 1.00 0.00 C ATOM 657 NZ LYS A 44 -13.823 8.438 5.466 1.00 0.00 N ATOM 0 H LYS A 44 -10.159 3.402 4.679 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.649 4.283 1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.097 5.996 2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.696 4.356 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.046 4.210 5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.035 5.637 5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.081 5.575 5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.159 6.170 6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.030 7.753 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.477 7.398 3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.760 9.370 5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.820 8.150 5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.417 8.494 6.422 1.00 0.00 H new ATOM 671 N VAL A 45 -9.130 6.200 1.986 1.00 0.00 N ATOM 672 CA VAL A 45 -8.072 7.196 1.978 1.00 0.00 C ATOM 673 C VAL A 45 -8.684 8.582 1.767 1.00 0.00 C ATOM 674 O VAL A 45 -9.819 8.700 1.307 1.00 0.00 O ATOM 675 CB VAL A 45 -7.023 6.838 0.923 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.510 5.410 1.123 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.580 7.028 -0.489 1.00 0.00 C ATOM 0 H VAL A 45 -9.619 6.090 1.097 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.555 7.212 2.938 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.179 7.517 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.766 5.181 0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.057 5.321 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.341 4.710 1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.815 6.767 -1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.449 6.384 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.874 8.068 -0.627 1.00 0.00 H new ATOM 687 N LYS A 46 -7.906 9.597 2.113 1.00 0.00 N ATOM 688 CA LYS A 46 -8.357 10.970 1.967 1.00 0.00 C ATOM 689 C LYS A 46 -8.051 11.455 0.548 1.00 0.00 C ATOM 690 O LYS A 46 -7.362 10.773 -0.209 1.00 0.00 O ATOM 691 CB LYS A 46 -7.753 11.852 3.062 1.00 0.00 C ATOM 692 CG LYS A 46 -7.691 11.105 4.396 1.00 0.00 C ATOM 693 CD LYS A 46 -7.431 12.071 5.553 1.00 0.00 C ATOM 694 CE LYS A 46 -8.729 12.737 6.014 1.00 0.00 C ATOM 695 NZ LYS A 46 -9.439 11.874 6.984 1.00 0.00 N ATOM 0 H LYS A 46 -6.965 9.496 2.494 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.437 11.032 2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.751 12.166 2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.350 12.757 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.628 10.575 4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.902 10.354 4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.979 11.533 6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.718 12.834 5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.507 13.701 6.471 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.370 12.931 5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.318 12.341 7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.668 10.964 6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.832 11.710 7.812 1.00 0.00 H new ATOM 709 N PRO A 47 -8.578 12.628 0.232 1.00 0.00 N ATOM 710 CA PRO A 47 -8.415 13.283 -1.068 1.00 0.00 C ATOM 711 C PRO A 47 -6.929 13.512 -1.352 1.00 0.00 C ATOM 712 O PRO A 47 -6.196 13.993 -0.490 1.00 0.00 O ATOM 713 CB PRO A 47 -9.123 14.628 -0.887 1.00 0.00 C ATOM 714 CG PRO A 47 -10.115 14.365 0.209 1.00 0.00 C ATOM 715 CD PRO A 47 -9.397 13.432 1.142 1.00 0.00 C ATOM 0 HA PRO A 47 -8.816 12.697 -1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.422 15.416 -0.611 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.616 14.947 -1.805 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.405 15.287 0.713 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.028 13.914 -0.180 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.786 13.974 1.864 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.092 12.815 1.712 1.00 0.00 H new ATOM 723 N GLY A 48 -6.529 13.156 -2.564 1.00 0.00 N ATOM 724 CA GLY A 48 -5.144 13.317 -2.972 1.00 0.00 C ATOM 725 C GLY A 48 -4.403 11.978 -2.938 1.00 0.00 C ATOM 726 O GLY A 48 -3.538 11.722 -3.774 1.00 0.00 O ATOM 0 H GLY A 48 -7.140 12.757 -3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.104 13.734 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.647 14.029 -2.312 1.00 0.00 H new ATOM 730 N VAL A 49 -4.770 11.161 -1.962 1.00 0.00 N ATOM 731 CA VAL A 49 -4.151 9.855 -1.808 1.00 0.00 C ATOM 732 C VAL A 49 -4.802 8.869 -2.780 1.00 0.00 C ATOM 733 O VAL A 49 -5.992 8.973 -3.071 1.00 0.00 O ATOM 734 CB VAL A 49 -4.240 9.403 -0.349 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.199 8.323 -0.045 1.00 0.00 C ATOM 736 CG2 VAL A 49 -4.092 10.591 0.604 1.00 0.00 C ATOM 0 H VAL A 49 -5.488 11.378 -1.270 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.091 9.903 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.228 8.970 -0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.284 8.019 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.371 7.461 -0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.200 8.719 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.159 10.242 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.124 11.067 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.887 11.312 0.413 1.00 0.00 H new ATOM 746 N ASN A 50 -3.992 7.935 -3.256 1.00 0.00 N ATOM 747 CA ASN A 50 -4.474 6.931 -4.189 1.00 0.00 C ATOM 748 C ASN A 50 -4.717 5.619 -3.440 1.00 0.00 C ATOM 749 O ASN A 50 -3.944 5.252 -2.557 1.00 0.00 O ATOM 750 CB ASN A 50 -3.445 6.663 -5.290 1.00 0.00 C ATOM 751 CG ASN A 50 -3.459 7.779 -6.337 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.293 7.820 -7.226 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.491 8.678 -6.182 1.00 0.00 N ATOM 0 H ASN A 50 -3.005 7.852 -3.013 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.395 7.303 -4.638 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.450 6.583 -4.851 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.660 5.708 -5.769 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.415 9.462 -6.830 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.825 8.583 -5.415 1.00 0.00 H new ATOM 760 N LEU A 51 -5.795 4.949 -3.821 1.00 0.00 N ATOM 761 CA LEU A 51 -6.150 3.686 -3.196 1.00 0.00 C ATOM 762 C LEU A 51 -6.680 2.726 -4.263 1.00 0.00 C ATOM 763 O LEU A 51 -7.414 3.134 -5.161 1.00 0.00 O ATOM 764 CB LEU A 51 -7.123 3.916 -2.038 1.00 0.00 C ATOM 765 CG LEU A 51 -7.739 2.659 -1.420 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.655 1.648 -1.040 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.632 3.015 -0.230 1.00 0.00 C ATOM 0 H LEU A 51 -6.434 5.257 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.270 3.219 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.600 4.464 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.931 4.557 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.374 2.185 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.119 0.764 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.096 1.362 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.976 2.097 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.057 2.104 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.039 3.524 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.436 3.671 -0.562 1.00 0.00 H new ATOM 779 N ASN A 52 -6.286 1.468 -4.128 1.00 0.00 N ATOM 780 CA ASN A 52 -6.712 0.446 -5.069 1.00 0.00 C ATOM 781 C ASN A 52 -7.040 -0.839 -4.307 1.00 0.00 C ATOM 782 O ASN A 52 -6.176 -1.405 -3.637 1.00 0.00 O ATOM 783 CB ASN A 52 -5.605 0.129 -6.077 1.00 0.00 C ATOM 784 CG ASN A 52 -5.775 -1.278 -6.654 1.00 0.00 C ATOM 785 OD1 ASN A 52 -5.381 -2.271 -6.064 1.00 0.00 O ATOM 786 ND2 ASN A 52 -6.383 -1.308 -7.836 1.00 0.00 N ATOM 0 H ASN A 52 -5.677 1.133 -3.382 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.587 0.821 -5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.623 0.861 -6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.632 0.212 -5.592 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.545 -2.200 -8.304 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.688 -0.439 -8.275 1.00 0.00 H new ATOM 793 N CYS A 53 -8.289 -1.263 -4.433 1.00 0.00 N ATOM 794 CA CYS A 53 -8.740 -2.471 -3.764 1.00 0.00 C ATOM 795 C CYS A 53 -8.985 -3.545 -4.825 1.00 0.00 C ATOM 796 O CYS A 53 -9.404 -3.238 -5.940 1.00 0.00 O ATOM 797 CB CYS A 53 -9.987 -2.214 -2.914 1.00 0.00 C ATOM 798 SG CYS A 53 -9.800 -0.899 -1.656 1.00 0.00 S ATOM 0 H CYS A 53 -9.003 -0.791 -4.989 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.972 -2.815 -3.071 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.812 -1.950 -3.575 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.265 -3.141 -2.412 1.00 0.00 H new ATOM 803 N CYS A 54 -8.712 -4.784 -4.442 1.00 0.00 N ATOM 804 CA CYS A 54 -8.897 -5.906 -5.346 1.00 0.00 C ATOM 805 C CYS A 54 -9.157 -7.160 -4.510 1.00 0.00 C ATOM 806 O CYS A 54 -8.874 -7.182 -3.313 1.00 0.00 O ATOM 807 CB CYS A 54 -7.699 -6.082 -6.282 1.00 0.00 C ATOM 808 SG CYS A 54 -6.070 -5.764 -5.510 1.00 0.00 S ATOM 0 H CYS A 54 -8.364 -5.035 -3.517 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.755 -5.718 -5.992 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.708 -7.099 -6.673 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.819 -5.412 -7.133 1.00 0.00 H new ATOM 813 N ARG A 55 -9.693 -8.174 -5.173 1.00 0.00 N ATOM 814 CA ARG A 55 -9.994 -9.429 -4.505 1.00 0.00 C ATOM 815 C ARG A 55 -9.075 -10.539 -5.021 1.00 0.00 C ATOM 816 O ARG A 55 -9.534 -11.640 -5.322 1.00 0.00 O ATOM 817 CB ARG A 55 -11.451 -9.837 -4.730 1.00 0.00 C ATOM 818 CG ARG A 55 -12.408 -8.804 -4.132 1.00 0.00 C ATOM 819 CD ARG A 55 -13.711 -8.736 -4.932 1.00 0.00 C ATOM 820 NE ARG A 55 -14.652 -7.794 -4.286 1.00 0.00 N ATOM 821 CZ ARG A 55 -15.448 -8.115 -3.257 1.00 0.00 C ATOM 822 NH1 ARG A 55 -15.422 -9.355 -2.751 1.00 0.00 N ATOM 823 NH2 ARG A 55 -16.271 -7.195 -2.734 1.00 0.00 N ATOM 0 H ARG A 55 -9.927 -8.152 -6.166 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.830 -9.284 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.643 -9.940 -5.798 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.633 -10.812 -4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.626 -9.062 -3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.931 -7.824 -4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.504 -8.414 -5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.161 -9.727 -4.995 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.697 -6.841 -4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.796 -10.055 -3.149 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.028 -9.599 -1.968 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.291 -6.251 -3.119 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.877 -7.439 -1.951 1.00 0.00 H new ATOM 837 N THR A 56 -7.795 -10.210 -5.108 1.00 0.00 N ATOM 838 CA THR A 56 -6.808 -11.165 -5.583 1.00 0.00 C ATOM 839 C THR A 56 -5.594 -11.186 -4.651 1.00 0.00 C ATOM 840 O THR A 56 -5.203 -10.151 -4.112 1.00 0.00 O ATOM 841 CB THR A 56 -6.458 -10.805 -7.028 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.541 -9.383 -7.062 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.528 -11.265 -8.021 1.00 0.00 C ATOM 0 H THR A 56 -7.418 -9.296 -4.858 1.00 0.00 H new ATOM 0 HA THR A 56 -7.204 -12.180 -5.573 1.00 0.00 H new ATOM 0 HB THR A 56 -5.500 -11.254 -7.292 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.327 -9.064 -7.964 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.231 -10.985 -9.032 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.638 -12.348 -7.962 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.478 -10.790 -7.778 1.00 0.00 H new ATOM 851 N ASP A 57 -5.032 -12.375 -4.490 1.00 0.00 N ATOM 852 CA ASP A 57 -3.871 -12.543 -3.633 1.00 0.00 C ATOM 853 C ASP A 57 -2.718 -11.695 -4.171 1.00 0.00 C ATOM 854 O ASP A 57 -2.506 -11.625 -5.381 1.00 0.00 O ATOM 855 CB ASP A 57 -3.413 -14.003 -3.607 1.00 0.00 C ATOM 856 CG ASP A 57 -4.484 -15.009 -3.182 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.694 -15.130 -1.955 1.00 0.00 O ATOM 858 OD2 ASP A 57 -5.067 -15.636 -4.092 1.00 0.00 O ATOM 0 H ASP A 57 -5.359 -13.231 -4.938 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.148 -12.234 -2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.056 -14.274 -4.600 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.565 -14.090 -2.928 1.00 0.00 H new ATOM 863 N ARG A 58 -2.002 -11.071 -3.247 1.00 0.00 N ATOM 864 CA ARG A 58 -0.875 -10.230 -3.613 1.00 0.00 C ATOM 865 C ARG A 58 -1.214 -9.400 -4.853 1.00 0.00 C ATOM 866 O ARG A 58 -0.370 -9.210 -5.727 1.00 0.00 O ATOM 867 CB ARG A 58 0.371 -11.072 -3.897 1.00 0.00 C ATOM 868 CG ARG A 58 0.482 -12.237 -2.911 1.00 0.00 C ATOM 869 CD ARG A 58 1.915 -12.770 -2.851 1.00 0.00 C ATOM 870 NE ARG A 58 2.115 -13.545 -1.607 1.00 0.00 N ATOM 871 CZ ARG A 58 3.118 -14.412 -1.415 1.00 0.00 C ATOM 872 NH1 ARG A 58 4.020 -14.619 -2.384 1.00 0.00 N ATOM 873 NH2 ARG A 58 3.221 -15.071 -0.253 1.00 0.00 N ATOM 0 H ARG A 58 -2.181 -11.131 -2.245 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.668 -9.567 -2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.330 -11.456 -4.916 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.261 -10.446 -3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.170 -11.910 -1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.195 -13.037 -3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.114 -13.400 -3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.622 -11.941 -2.891 1.00 0.00 H new ATOM 0 HE ARG A 58 1.447 -13.411 -0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.943 -14.116 -3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.784 -15.279 -2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.536 -14.913 0.486 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.985 -15.731 -0.107 1.00 0.00 H new ATOM 887 N CYS A 59 -2.451 -8.926 -4.888 1.00 0.00 N ATOM 888 CA CYS A 59 -2.912 -8.120 -6.006 1.00 0.00 C ATOM 889 C CYS A 59 -2.535 -6.662 -5.734 1.00 0.00 C ATOM 890 O CYS A 59 -2.414 -5.866 -6.664 1.00 0.00 O ATOM 891 CB CYS A 59 -4.415 -8.287 -6.242 1.00 0.00 C ATOM 892 SG CYS A 59 -5.481 -7.570 -4.939 1.00 0.00 S ATOM 0 H CYS A 59 -3.148 -9.085 -4.160 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.428 -8.454 -6.923 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.672 -7.827 -7.196 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.639 -9.350 -6.330 1.00 0.00 H new ATOM 897 N ASN A 60 -2.361 -6.358 -4.457 1.00 0.00 N ATOM 898 CA ASN A 60 -2.001 -5.010 -4.051 1.00 0.00 C ATOM 899 C ASN A 60 -0.480 -4.911 -3.918 1.00 0.00 C ATOM 900 O ASN A 60 0.026 -4.313 -2.970 1.00 0.00 O ATOM 901 CB ASN A 60 -2.618 -4.659 -2.696 1.00 0.00 C ATOM 902 CG ASN A 60 -2.018 -5.519 -1.581 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.669 -6.672 -1.772 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.918 -4.895 -0.411 1.00 0.00 N ATOM 0 H ASN A 60 -2.463 -7.022 -3.689 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.375 -4.319 -4.807 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.449 -3.605 -2.478 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.697 -4.808 -2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.530 -5.383 0.396 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.230 -3.928 -0.320 1.00 0.00 H new ATOM 911 N ASN A 61 0.206 -5.508 -4.882 1.00 0.00 N ATOM 912 CA ASN A 61 1.659 -5.494 -4.885 1.00 0.00 C ATOM 913 C ASN A 61 2.153 -4.352 -5.775 1.00 0.00 C ATOM 914 O ASN A 61 1.306 -3.506 -6.134 1.00 0.00 O ATOM 915 CB ASN A 61 2.221 -6.804 -5.442 1.00 0.00 C ATOM 916 CG ASN A 61 2.380 -6.730 -6.961 1.00 0.00 C ATOM 917 OD1 ASN A 61 1.513 -6.260 -7.680 1.00 0.00 O ATOM 918 ND2 ASN A 61 3.533 -7.220 -7.409 1.00 0.00 N ATOM 919 OXT ASN A 61 3.366 -4.351 -6.075 1.00 0.00 O ATOM 0 H ASN A 61 -0.218 -6.004 -5.666 1.00 0.00 H new ATOM 0 HA ASN A 61 1.997 -5.364 -3.857 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.186 -7.015 -4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.557 -7.628 -5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.734 -7.217 -8.409 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.216 -7.599 -6.753 1.00 0.00 H new