USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 453 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 4 HIS : no HD1:sc= -0.0493 X(o=-0.1,f=-0.0044) USER MOD Set 1.2: A 61 ASN : amide:sc= -0.0528 X(o=-0.1,f=-0.049) USER MOD Single : A 1 LEU N :NH3+ -113:sc= 0.558 (180deg=0.00791) USER MOD Single : A 5 ASN : amide:sc= -0.632 K(o=-0.63,f=-2.8!) USER MOD Single : A 6 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.019) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00993 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00405 USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0658) USER MOD Single : A 16 THR OG1 : rot 40:sc= 0.439 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.703 F(o=-1.3,f=-0.7) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0141) USER MOD Single : A 26 LYS NZ :NH3+ -114:sc= 0.129 (180deg=-0.00863) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 32:sc= 1.05 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -137:sc= 0 (180deg=-1.11!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 58 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0115) USER MOD Single : A 60 ASN : amide:sc= -0.67 K(o=-0.67,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -8.422 -10.984 6.158 1.00 0.00 N ATOM 2 CA LEU A 1 -6.957 -11.087 6.386 1.00 0.00 C ATOM 3 C LEU A 1 -6.738 -9.845 7.237 1.00 0.00 C ATOM 4 O LEU A 1 -7.696 -9.119 7.443 1.00 0.00 O ATOM 5 CB LEU A 1 -6.145 -10.965 5.067 1.00 0.00 C ATOM 6 CG LEU A 1 -4.919 -11.956 5.026 1.00 0.00 C ATOM 7 CD1 LEU A 1 -5.346 -13.460 4.913 1.00 0.00 C ATOM 8 CD2 LEU A 1 -4.021 -11.590 3.808 1.00 0.00 C ATOM 0 H1 LEU A 1 -8.905 -11.767 6.644 1.00 0.00 H new ATOM 0 H2 LEU A 1 -8.769 -10.078 6.532 1.00 0.00 H new ATOM 0 H3 LEU A 1 -8.619 -11.035 5.138 1.00 0.00 H new ATOM 0 HA LEU A 1 -6.643 -12.035 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -6.800 -11.166 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -5.786 -9.942 4.957 1.00 0.00 H new ATOM 0 HG LEU A 1 -4.381 -11.847 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -4.457 -14.090 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.959 -13.730 5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -5.920 -13.608 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -3.169 -12.268 3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -4.600 -11.680 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -3.665 -10.565 3.914 1.00 0.00 H new ATOM 22 N GLU A 2 -5.546 -9.614 7.706 1.00 0.00 N ATOM 23 CA GLU A 2 -5.306 -8.405 8.550 1.00 0.00 C ATOM 24 C GLU A 2 -4.118 -7.788 7.850 1.00 0.00 C ATOM 25 O GLU A 2 -3.372 -8.590 7.316 1.00 0.00 O ATOM 26 CB GLU A 2 -4.829 -8.722 9.979 1.00 0.00 C ATOM 27 CG GLU A 2 -5.616 -9.863 10.669 1.00 0.00 C ATOM 28 CD GLU A 2 -5.230 -9.871 12.163 1.00 0.00 C ATOM 29 OE1 GLU A 2 -5.868 -9.120 12.885 1.00 0.00 O ATOM 30 OE2 GLU A 2 -4.322 -10.614 12.501 1.00 0.00 O ATOM 0 H GLU A 2 -4.730 -10.204 7.545 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.217 -7.814 8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.773 -8.991 9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.910 -7.820 10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.689 -9.710 10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.379 -10.822 10.209 1.00 0.00 H new ATOM 37 N CYS A 3 -3.958 -6.484 7.870 1.00 0.00 N ATOM 38 CA CYS A 3 -2.774 -5.885 7.174 1.00 0.00 C ATOM 39 C CYS A 3 -2.289 -4.717 8.048 1.00 0.00 C ATOM 40 O CYS A 3 -2.937 -4.393 9.032 1.00 0.00 O ATOM 41 CB CYS A 3 -3.121 -5.289 5.799 1.00 0.00 C ATOM 42 SG CYS A 3 -4.276 -6.142 4.689 1.00 0.00 S ATOM 0 H CYS A 3 -4.583 -5.821 8.329 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.036 -6.673 7.027 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.521 -4.290 5.973 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.184 -5.167 5.256 1.00 0.00 H new ATOM 47 N HIS A 4 -1.189 -4.125 7.640 1.00 0.00 N ATOM 48 CA HIS A 4 -0.561 -2.968 8.370 1.00 0.00 C ATOM 49 C HIS A 4 -0.816 -1.777 7.477 1.00 0.00 C ATOM 50 O HIS A 4 -0.980 -1.995 6.294 1.00 0.00 O ATOM 51 CB HIS A 4 0.965 -3.061 8.468 1.00 0.00 C ATOM 52 CG HIS A 4 1.461 -4.184 9.393 1.00 0.00 C ATOM 53 ND1 HIS A 4 1.793 -4.039 10.640 1.00 0.00 N ATOM 54 CD2 HIS A 4 1.659 -5.536 9.140 1.00 0.00 C ATOM 55 CE1 HIS A 4 2.166 -5.181 11.123 1.00 0.00 C ATOM 56 NE2 HIS A 4 2.099 -6.138 10.228 1.00 0.00 N ATOM 0 H HIS A 4 -0.681 -4.405 6.801 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.970 -2.927 9.380 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.375 -3.218 7.470 1.00 0.00 H new ATOM 0 HB3 HIS A 4 1.355 -2.109 8.827 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.479 -6.022 8.192 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.493 -5.328 12.142 1.00 0.00 H new ATOM 0 HE2 HIS A 4 2.334 -7.123 10.347 1.00 0.00 H new ATOM 64 N ASN A 5 -0.845 -0.573 7.985 1.00 0.00 N ATOM 65 CA ASN A 5 -1.097 0.593 7.080 1.00 0.00 C ATOM 66 C ASN A 5 -0.309 1.752 7.643 1.00 0.00 C ATOM 67 O ASN A 5 -0.855 2.756 8.058 1.00 0.00 O ATOM 68 CB ASN A 5 -2.604 0.995 7.033 1.00 0.00 C ATOM 69 CG ASN A 5 -3.235 1.207 8.429 1.00 0.00 C ATOM 70 OD1 ASN A 5 -3.070 0.392 9.316 1.00 0.00 O ATOM 71 ND2 ASN A 5 -3.971 2.258 8.686 1.00 0.00 N ATOM 0 H ASN A 5 -0.708 -0.346 8.970 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.801 0.329 6.065 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.708 1.913 6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.161 0.220 6.506 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.387 2.375 9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.128 2.960 7.963 1.00 0.00 H new ATOM 78 N GLN A 6 0.973 1.541 7.623 1.00 0.00 N ATOM 79 CA GLN A 6 2.002 2.512 8.123 1.00 0.00 C ATOM 80 C GLN A 6 2.293 3.497 6.975 1.00 0.00 C ATOM 81 O GLN A 6 2.742 3.061 5.934 1.00 0.00 O ATOM 82 CB GLN A 6 3.231 1.630 8.532 1.00 0.00 C ATOM 83 CG GLN A 6 4.466 2.348 9.000 1.00 0.00 C ATOM 84 CD GLN A 6 5.178 1.277 9.836 1.00 0.00 C ATOM 85 OE1 GLN A 6 5.514 0.215 9.347 1.00 0.00 O ATOM 86 NE2 GLN A 6 5.420 1.500 11.098 1.00 0.00 N ATOM 0 H GLN A 6 1.381 0.680 7.258 1.00 0.00 H new ATOM 0 HA GLN A 6 1.700 3.111 8.982 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.912 0.954 9.325 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.503 1.012 7.676 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.080 2.685 8.165 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.222 3.230 9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.144 2.386 11.521 1.00 0.00 H new ATOM 0 HE22 GLN A 6 5.885 0.788 11.662 1.00 0.00 H new ATOM 95 N GLN A 7 2.056 4.773 7.172 1.00 0.00 N ATOM 96 CA GLN A 7 2.310 5.775 6.084 1.00 0.00 C ATOM 97 C GLN A 7 3.630 6.503 6.317 1.00 0.00 C ATOM 98 O GLN A 7 3.943 6.818 7.444 1.00 0.00 O ATOM 99 CB GLN A 7 1.236 6.900 6.044 1.00 0.00 C ATOM 100 CG GLN A 7 -0.169 6.410 5.732 1.00 0.00 C ATOM 101 CD GLN A 7 -1.093 7.530 6.238 1.00 0.00 C ATOM 102 OE1 GLN A 7 -0.937 8.676 5.866 1.00 0.00 O ATOM 103 NE2 GLN A 7 -2.051 7.257 7.082 1.00 0.00 N ATOM 0 H GLN A 7 1.696 5.166 8.042 1.00 0.00 H new ATOM 0 HA GLN A 7 2.304 5.197 5.160 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.225 7.411 7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.526 7.637 5.295 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -0.301 6.240 4.663 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.380 5.466 6.234 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.192 6.299 7.401 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.659 8.002 7.422 1.00 0.00 H new ATOM 112 N SER A 8 4.302 6.746 5.229 1.00 0.00 N ATOM 113 CA SER A 8 5.606 7.442 5.167 1.00 0.00 C ATOM 114 C SER A 8 6.414 7.553 6.474 1.00 0.00 C ATOM 115 O SER A 8 7.389 6.837 6.598 1.00 0.00 O ATOM 116 CB SER A 8 5.315 8.858 4.565 1.00 0.00 C ATOM 117 OG SER A 8 6.551 9.477 4.237 1.00 0.00 O ATOM 0 H SER A 8 3.964 6.463 4.309 1.00 0.00 H new ATOM 0 HA SER A 8 6.265 6.828 4.553 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.689 8.770 3.677 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.766 9.468 5.282 1.00 0.00 H new ATOM 0 HG SER A 8 6.382 10.364 3.857 1.00 0.00 H new ATOM 123 N SER A 9 6.049 8.405 7.398 1.00 0.00 N ATOM 124 CA SER A 9 6.863 8.485 8.623 1.00 0.00 C ATOM 125 C SER A 9 6.047 8.437 9.910 1.00 0.00 C ATOM 126 O SER A 9 6.603 8.673 10.965 1.00 0.00 O ATOM 127 CB SER A 9 7.619 9.783 8.511 1.00 0.00 C ATOM 128 OG SER A 9 6.603 10.696 8.072 1.00 0.00 O ATOM 0 H SER A 9 5.243 9.029 7.351 1.00 0.00 H new ATOM 0 HA SER A 9 7.519 7.617 8.692 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.051 10.085 9.465 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.440 9.715 7.797 1.00 0.00 H new ATOM 0 HG SER A 9 6.990 11.590 7.966 1.00 0.00 H new ATOM 134 N GLN A 10 4.785 8.140 9.825 1.00 0.00 N ATOM 135 CA GLN A 10 3.994 8.124 11.086 1.00 0.00 C ATOM 136 C GLN A 10 4.231 6.793 11.794 1.00 0.00 C ATOM 137 O GLN A 10 4.691 5.871 11.156 1.00 0.00 O ATOM 138 CB GLN A 10 2.495 8.264 10.745 1.00 0.00 C ATOM 139 CG GLN A 10 2.148 9.560 10.002 1.00 0.00 C ATOM 140 CD GLN A 10 1.393 10.439 11.009 1.00 0.00 C ATOM 141 OE1 GLN A 10 1.979 11.272 11.670 1.00 0.00 O ATOM 142 NE2 GLN A 10 0.106 10.286 11.178 1.00 0.00 N ATOM 0 H GLN A 10 4.278 7.914 8.969 1.00 0.00 H new ATOM 0 HA GLN A 10 4.298 8.948 11.732 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.190 7.414 10.135 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.916 8.219 11.668 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.050 10.060 9.648 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.533 9.354 9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.401 9.591 10.631 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.391 10.862 11.857 1.00 0.00 H new ATOM 151 N PRO A 11 3.919 6.705 13.070 1.00 0.00 N ATOM 152 CA PRO A 11 4.112 5.446 13.837 1.00 0.00 C ATOM 153 C PRO A 11 3.112 4.405 13.296 1.00 0.00 C ATOM 154 O PRO A 11 2.189 4.794 12.617 1.00 0.00 O ATOM 155 CB PRO A 11 3.840 5.785 15.306 1.00 0.00 C ATOM 156 CG PRO A 11 3.560 7.333 15.376 1.00 0.00 C ATOM 157 CD PRO A 11 3.373 7.814 13.902 1.00 0.00 C ATOM 0 HA PRO A 11 5.116 5.033 13.740 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.986 5.221 15.680 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.695 5.519 15.928 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.669 7.540 15.968 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.388 7.856 15.853 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.323 7.999 13.676 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.907 8.746 13.719 1.00 0.00 H new ATOM 165 N PRO A 12 3.295 3.141 13.604 1.00 0.00 N ATOM 166 CA PRO A 12 2.388 2.049 13.122 1.00 0.00 C ATOM 167 C PRO A 12 0.912 1.906 13.582 1.00 0.00 C ATOM 168 O PRO A 12 0.602 2.212 14.719 1.00 0.00 O ATOM 169 CB PRO A 12 3.155 0.756 13.439 1.00 0.00 C ATOM 170 CG PRO A 12 4.155 1.124 14.602 1.00 0.00 C ATOM 171 CD PRO A 12 4.424 2.650 14.446 1.00 0.00 C ATOM 0 HA PRO A 12 2.194 2.308 12.081 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.474 -0.038 13.746 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.691 0.394 12.562 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.724 0.898 15.577 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.079 0.552 14.522 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.445 3.151 15.414 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.386 2.837 13.969 1.00 0.00 H new ATOM 179 N THR A 13 0.096 1.427 12.665 1.00 0.00 N ATOM 180 CA THR A 13 -1.352 1.195 12.877 1.00 0.00 C ATOM 181 C THR A 13 -1.747 -0.145 12.119 1.00 0.00 C ATOM 182 O THR A 13 -1.012 -0.498 11.200 1.00 0.00 O ATOM 183 CB THR A 13 -1.947 2.445 12.306 1.00 0.00 C ATOM 184 OG1 THR A 13 -0.869 2.831 11.440 1.00 0.00 O ATOM 185 CG2 THR A 13 -2.090 3.584 13.359 1.00 0.00 C ATOM 0 H THR A 13 0.409 1.177 11.727 1.00 0.00 H new ATOM 0 HA THR A 13 -1.691 1.043 13.902 1.00 0.00 H new ATOM 0 HB THR A 13 -2.938 2.290 11.880 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.105 3.659 10.973 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.527 4.464 12.886 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.736 3.250 14.171 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.107 3.836 13.758 1.00 0.00 H new ATOM 193 N THR A 14 -2.821 -0.820 12.487 1.00 0.00 N ATOM 194 CA THR A 14 -3.231 -2.074 11.798 1.00 0.00 C ATOM 195 C THR A 14 -4.775 -2.033 11.495 1.00 0.00 C ATOM 196 O THR A 14 -5.452 -1.265 12.159 1.00 0.00 O ATOM 197 CB THR A 14 -2.830 -3.152 12.769 1.00 0.00 C ATOM 198 OG1 THR A 14 -2.676 -2.381 13.969 1.00 0.00 O ATOM 199 CG2 THR A 14 -1.433 -3.736 12.441 1.00 0.00 C ATOM 0 H THR A 14 -3.435 -0.540 13.252 1.00 0.00 H new ATOM 0 HA THR A 14 -2.765 -2.236 10.826 1.00 0.00 H new ATOM 0 HB THR A 14 -3.534 -3.984 12.788 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.411 -2.971 14.705 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.183 -4.510 13.166 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.445 -4.167 11.440 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.687 -2.942 12.486 1.00 0.00 H new ATOM 207 N LYS A 15 -5.282 -2.818 10.559 1.00 0.00 N ATOM 208 CA LYS A 15 -6.755 -2.823 10.230 1.00 0.00 C ATOM 209 C LYS A 15 -7.156 -4.285 9.916 1.00 0.00 C ATOM 210 O LYS A 15 -6.257 -5.061 9.630 1.00 0.00 O ATOM 211 CB LYS A 15 -7.030 -1.935 8.990 1.00 0.00 C ATOM 212 CG LYS A 15 -7.356 -0.476 9.416 1.00 0.00 C ATOM 213 CD LYS A 15 -8.896 -0.286 9.408 1.00 0.00 C ATOM 214 CE LYS A 15 -9.268 1.103 9.945 1.00 0.00 C ATOM 215 NZ LYS A 15 -9.088 1.140 11.423 1.00 0.00 N ATOM 0 H LYS A 15 -4.726 -3.466 10.001 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.331 -2.430 11.068 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.160 -1.941 8.333 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.863 -2.347 8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.956 -0.274 10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.885 0.231 8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.278 -0.405 8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.367 -1.057 10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.644 1.863 9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.302 1.336 9.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.513 2.010 11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.552 0.313 11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.073 1.123 11.650 1.00 0.00 H new ATOM 229 N THR A 16 -8.428 -4.626 9.960 1.00 0.00 N ATOM 230 CA THR A 16 -8.863 -6.017 9.667 1.00 0.00 C ATOM 231 C THR A 16 -9.934 -6.028 8.532 1.00 0.00 C ATOM 232 O THR A 16 -10.846 -5.227 8.646 1.00 0.00 O ATOM 233 CB THR A 16 -9.400 -6.526 11.001 1.00 0.00 C ATOM 234 OG1 THR A 16 -10.243 -5.448 11.413 1.00 0.00 O ATOM 235 CG2 THR A 16 -8.309 -6.567 12.103 1.00 0.00 C ATOM 0 H THR A 16 -9.186 -3.983 10.191 1.00 0.00 H new ATOM 0 HA THR A 16 -8.062 -6.656 9.297 1.00 0.00 H new ATOM 0 HB THR A 16 -9.835 -7.519 10.885 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.733 -5.102 10.638 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.744 -6.936 13.032 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.502 -7.230 11.791 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.914 -5.564 12.261 1.00 0.00 H new ATOM 243 N CYS A 17 -9.841 -6.878 7.534 1.00 0.00 N ATOM 244 CA CYS A 17 -10.870 -6.885 6.446 1.00 0.00 C ATOM 245 C CYS A 17 -11.370 -8.327 6.125 1.00 0.00 C ATOM 246 O CYS A 17 -11.128 -8.803 5.035 1.00 0.00 O ATOM 247 CB CYS A 17 -10.242 -6.239 5.163 1.00 0.00 C ATOM 248 SG CYS A 17 -9.691 -4.503 5.254 1.00 0.00 S ATOM 0 H CYS A 17 -9.096 -7.567 7.427 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.735 -6.313 6.782 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.385 -6.845 4.870 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.975 -6.314 4.360 1.00 0.00 H new ATOM 253 N PRO A 18 -12.040 -9.021 7.013 1.00 0.00 N ATOM 254 CA PRO A 18 -12.523 -10.402 6.729 1.00 0.00 C ATOM 255 C PRO A 18 -13.558 -10.462 5.619 1.00 0.00 C ATOM 256 O PRO A 18 -14.730 -10.252 5.861 1.00 0.00 O ATOM 257 CB PRO A 18 -13.088 -10.923 8.043 1.00 0.00 C ATOM 258 CG PRO A 18 -13.508 -9.624 8.799 1.00 0.00 C ATOM 259 CD PRO A 18 -12.428 -8.570 8.376 1.00 0.00 C ATOM 0 HA PRO A 18 -11.700 -11.017 6.364 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.938 -11.585 7.880 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.345 -11.491 8.603 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.510 -9.304 8.515 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.516 -9.776 9.878 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.833 -7.558 8.367 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.578 -8.567 9.058 1.00 0.00 H new ATOM 267 N GLY A 19 -13.122 -10.757 4.444 1.00 0.00 N ATOM 268 CA GLY A 19 -14.066 -10.827 3.342 1.00 0.00 C ATOM 269 C GLY A 19 -13.096 -10.851 2.192 1.00 0.00 C ATOM 270 O GLY A 19 -13.324 -11.514 1.200 1.00 0.00 O ATOM 0 H GLY A 19 -12.149 -10.952 4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.692 -11.718 3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.736 -9.968 3.308 1.00 0.00 H new ATOM 274 N GLU A 20 -12.014 -10.133 2.338 1.00 0.00 N ATOM 275 CA GLU A 20 -11.028 -10.123 1.231 1.00 0.00 C ATOM 276 C GLU A 20 -9.910 -11.043 1.672 1.00 0.00 C ATOM 277 O GLU A 20 -9.772 -11.278 2.858 1.00 0.00 O ATOM 278 CB GLU A 20 -10.471 -8.706 1.031 1.00 0.00 C ATOM 279 CG GLU A 20 -11.606 -7.784 0.535 1.00 0.00 C ATOM 280 CD GLU A 20 -11.349 -6.332 0.963 1.00 0.00 C ATOM 281 OE1 GLU A 20 -10.345 -5.773 0.544 1.00 0.00 O ATOM 282 OE2 GLU A 20 -12.200 -5.867 1.702 1.00 0.00 O ATOM 0 H GLU A 20 -11.778 -9.569 3.154 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.479 -10.442 0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.061 -8.327 1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.655 -8.721 0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.680 -7.841 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.560 -8.124 0.938 1.00 0.00 H new ATOM 289 N THR A 21 -9.170 -11.492 0.701 1.00 0.00 N ATOM 290 CA THR A 21 -8.038 -12.402 0.925 1.00 0.00 C ATOM 291 C THR A 21 -6.688 -11.724 0.499 1.00 0.00 C ATOM 292 O THR A 21 -5.697 -12.428 0.447 1.00 0.00 O ATOM 293 CB THR A 21 -8.409 -13.614 0.070 1.00 0.00 C ATOM 294 OG1 THR A 21 -9.826 -13.435 -0.056 1.00 0.00 O ATOM 295 CG2 THR A 21 -8.181 -15.002 0.731 1.00 0.00 C ATOM 0 H THR A 21 -9.319 -11.249 -0.278 1.00 0.00 H new ATOM 0 HA THR A 21 -7.876 -12.676 1.967 1.00 0.00 H new ATOM 0 HB THR A 21 -7.804 -13.639 -0.836 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.201 -14.161 -0.597 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.477 -15.789 0.037 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.126 -15.117 0.981 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.779 -15.075 1.639 1.00 0.00 H new ATOM 303 N ASN A 22 -6.601 -10.445 0.205 1.00 0.00 N ATOM 304 CA ASN A 22 -5.243 -9.919 -0.214 1.00 0.00 C ATOM 305 C ASN A 22 -5.016 -8.520 0.304 1.00 0.00 C ATOM 306 O ASN A 22 -6.004 -7.915 0.684 1.00 0.00 O ATOM 307 CB ASN A 22 -5.075 -9.737 -1.714 1.00 0.00 C ATOM 308 CG ASN A 22 -5.904 -10.749 -2.518 1.00 0.00 C ATOM 309 OD1 ASN A 22 -5.318 -11.701 -3.196 1.00 0.00 O flip ATOM 310 ND2 ASN A 22 -7.123 -10.689 -2.537 1.00 0.00 N flip ATOM 0 H ASN A 22 -7.363 -9.768 0.231 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.560 -10.671 0.180 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.372 -8.725 -1.991 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.022 -9.843 -1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.606 -9.956 -2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.659 -11.372 -3.073 1.00 0.00 H new ATOM 317 N CYS A 23 -3.780 -8.050 0.285 1.00 0.00 N ATOM 318 CA CYS A 23 -3.471 -6.652 0.783 1.00 0.00 C ATOM 319 C CYS A 23 -2.620 -5.970 -0.331 1.00 0.00 C ATOM 320 O CYS A 23 -2.070 -6.727 -1.121 1.00 0.00 O ATOM 321 CB CYS A 23 -2.639 -6.691 2.100 1.00 0.00 C ATOM 322 SG CYS A 23 -3.294 -7.523 3.581 1.00 0.00 S ATOM 0 H CYS A 23 -2.971 -8.572 -0.053 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.396 -6.114 0.992 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.684 -7.160 1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.427 -5.658 2.378 1.00 0.00 H new ATOM 327 N TYR A 24 -2.509 -4.639 -0.368 1.00 0.00 N ATOM 328 CA TYR A 24 -1.699 -3.930 -1.452 1.00 0.00 C ATOM 329 C TYR A 24 -0.607 -2.916 -1.037 1.00 0.00 C ATOM 330 O TYR A 24 -0.595 -2.461 0.096 1.00 0.00 O ATOM 331 CB TYR A 24 -2.645 -3.141 -2.445 1.00 0.00 C ATOM 332 CG TYR A 24 -3.389 -1.829 -1.995 1.00 0.00 C ATOM 333 CD1 TYR A 24 -2.751 -0.593 -1.948 1.00 0.00 C ATOM 334 CD2 TYR A 24 -4.738 -1.859 -1.671 1.00 0.00 C ATOM 335 CE1 TYR A 24 -3.437 0.558 -1.601 1.00 0.00 C ATOM 336 CE2 TYR A 24 -5.425 -0.713 -1.324 1.00 0.00 C ATOM 337 CZ TYR A 24 -4.783 0.512 -1.286 1.00 0.00 C ATOM 338 OH TYR A 24 -5.468 1.666 -0.954 1.00 0.00 O ATOM 0 H TYR A 24 -2.946 -4.013 0.308 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.177 -4.783 -1.885 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -2.045 -2.883 -3.318 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.410 -3.842 -2.780 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.700 -0.531 -2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.263 -2.802 -1.691 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.915 1.503 -1.576 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.475 -0.773 -1.079 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.404 1.447 -0.763 1.00 0.00 H new ATOM 348 N LYS A 25 0.262 -2.596 -1.986 1.00 0.00 N ATOM 349 CA LYS A 25 1.410 -1.628 -1.824 1.00 0.00 C ATOM 350 C LYS A 25 1.313 -0.723 -3.087 1.00 0.00 C ATOM 351 O LYS A 25 1.097 -1.297 -4.142 1.00 0.00 O ATOM 352 CB LYS A 25 2.789 -2.393 -1.823 1.00 0.00 C ATOM 353 CG LYS A 25 3.206 -2.804 -0.365 1.00 0.00 C ATOM 354 CD LYS A 25 4.252 -3.975 -0.284 1.00 0.00 C ATOM 355 CE LYS A 25 5.409 -3.871 -1.306 1.00 0.00 C ATOM 356 NZ LYS A 25 6.144 -2.581 -1.187 1.00 0.00 N ATOM 0 H LYS A 25 0.213 -2.996 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 25 1.357 -1.072 -0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.715 -3.283 -2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.560 -1.759 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.620 -1.931 0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.311 -3.096 0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.673 -4.001 0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.733 -4.921 -0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.102 -4.699 -1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.011 -3.970 -2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.123 -2.708 -1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.674 -1.859 -1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.149 -2.274 -0.193 1.00 0.00 H new ATOM 370 N LYS A 26 1.471 0.589 -2.973 1.00 0.00 N ATOM 371 CA LYS A 26 1.388 1.557 -4.147 1.00 0.00 C ATOM 372 C LYS A 26 2.622 2.490 -4.150 1.00 0.00 C ATOM 373 O LYS A 26 3.033 2.802 -3.045 1.00 0.00 O ATOM 374 CB LYS A 26 0.206 2.552 -4.052 1.00 0.00 C ATOM 375 CG LYS A 26 -1.051 2.241 -4.905 1.00 0.00 C ATOM 376 CD LYS A 26 -2.091 3.391 -4.690 1.00 0.00 C ATOM 377 CE LYS A 26 -3.412 3.098 -5.430 1.00 0.00 C ATOM 378 NZ LYS A 26 -4.181 2.032 -4.725 1.00 0.00 N ATOM 0 H LYS A 26 1.661 1.048 -2.082 1.00 0.00 H new ATOM 0 HA LYS A 26 1.295 0.913 -5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.101 2.614 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.571 3.539 -4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.784 2.163 -5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.480 1.282 -4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.288 3.512 -3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.674 4.333 -5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.011 4.007 -5.491 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.201 2.786 -6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.234 1.186 -5.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.704 1.792 -3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.142 2.373 -4.523 1.00 0.00 H new ATOM 392 N VAL A 27 3.151 2.907 -5.293 1.00 0.00 N ATOM 393 CA VAL A 27 4.345 3.827 -5.294 1.00 0.00 C ATOM 394 C VAL A 27 4.181 4.825 -6.485 1.00 0.00 C ATOM 395 O VAL A 27 3.707 4.353 -7.511 1.00 0.00 O ATOM 396 CB VAL A 27 5.667 3.059 -5.559 1.00 0.00 C ATOM 397 CG1 VAL A 27 6.902 3.826 -5.003 1.00 0.00 C ATOM 398 CG2 VAL A 27 5.602 1.596 -5.047 1.00 0.00 C ATOM 0 H VAL A 27 2.806 2.649 -6.218 1.00 0.00 H new ATOM 0 HA VAL A 27 4.392 4.314 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 27 5.794 3.003 -6.640 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.808 3.255 -5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.971 4.802 -5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.793 3.959 -3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.548 1.096 -5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.417 1.594 -3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.795 1.068 -5.555 1.00 0.00 H new ATOM 408 N TRP A 28 4.531 6.101 -6.365 1.00 0.00 N ATOM 409 CA TRP A 28 4.370 7.001 -7.566 1.00 0.00 C ATOM 410 C TRP A 28 5.377 8.173 -7.450 1.00 0.00 C ATOM 411 O TRP A 28 5.858 8.423 -6.354 1.00 0.00 O ATOM 412 CB TRP A 28 2.889 7.533 -7.689 1.00 0.00 C ATOM 413 CG TRP A 28 2.362 8.606 -6.742 1.00 0.00 C ATOM 414 CD1 TRP A 28 2.406 9.940 -6.990 1.00 0.00 C ATOM 415 CD2 TRP A 28 1.749 8.399 -5.563 1.00 0.00 C ATOM 416 NE1 TRP A 28 1.807 10.443 -5.931 1.00 0.00 N ATOM 417 CE2 TRP A 28 1.370 9.600 -5.006 1.00 0.00 C ATOM 418 CE3 TRP A 28 1.482 7.216 -4.916 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.716 9.609 -3.787 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.831 7.218 -3.702 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.448 8.422 -3.139 1.00 0.00 C ATOM 0 H TRP A 28 4.905 6.539 -5.523 1.00 0.00 H new ATOM 0 HA TRP A 28 4.578 6.432 -8.472 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.769 7.914 -8.703 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.230 6.670 -7.593 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.826 10.457 -7.840 1.00 0.00 H new ATOM 0 HE1 TRP A 28 1.683 11.450 -5.826 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.784 6.280 -5.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.415 10.546 -3.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.622 6.288 -3.194 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -0.063 8.432 -2.188 1.00 0.00 H new ATOM 432 N ARG A 29 5.668 8.859 -8.543 1.00 0.00 N ATOM 433 CA ARG A 29 6.653 10.009 -8.549 1.00 0.00 C ATOM 434 C ARG A 29 6.017 11.321 -9.026 1.00 0.00 C ATOM 435 O ARG A 29 5.020 11.251 -9.716 1.00 0.00 O ATOM 436 CB ARG A 29 7.824 9.688 -9.503 1.00 0.00 C ATOM 437 CG ARG A 29 8.569 8.402 -9.024 1.00 0.00 C ATOM 438 CD ARG A 29 8.842 7.368 -10.159 1.00 0.00 C ATOM 439 NE ARG A 29 9.647 6.274 -9.528 1.00 0.00 N ATOM 440 CZ ARG A 29 9.852 5.115 -10.103 1.00 0.00 C ATOM 441 NH1 ARG A 29 9.355 4.853 -11.282 1.00 0.00 N ATOM 442 NH2 ARG A 29 10.570 4.237 -9.456 1.00 0.00 N ATOM 0 H ARG A 29 5.253 8.665 -9.455 1.00 0.00 H new ATOM 0 HA ARG A 29 6.994 10.134 -7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.449 9.544 -10.516 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.517 10.528 -9.536 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.519 8.691 -8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.979 7.922 -8.243 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.909 6.981 -10.568 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.386 7.828 -10.984 1.00 0.00 H new ATOM 0 HE ARG A 29 10.055 6.439 -8.608 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.798 5.556 -11.768 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.524 3.946 -11.716 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.948 4.465 -8.537 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.752 3.323 -9.870 1.00 0.00 H new ATOM 456 N ASP A 30 6.586 12.458 -8.677 1.00 0.00 N ATOM 457 CA ASP A 30 6.022 13.777 -9.105 1.00 0.00 C ATOM 458 C ASP A 30 7.283 14.628 -9.166 1.00 0.00 C ATOM 459 O ASP A 30 8.346 14.082 -8.986 1.00 0.00 O ATOM 460 CB ASP A 30 5.055 14.351 -8.041 1.00 0.00 C ATOM 461 CG ASP A 30 4.141 15.460 -8.602 1.00 0.00 C ATOM 462 OD1 ASP A 30 3.092 15.076 -9.092 1.00 0.00 O ATOM 463 OD2 ASP A 30 4.525 16.616 -8.515 1.00 0.00 O ATOM 0 H ASP A 30 7.429 12.523 -8.106 1.00 0.00 H new ATOM 0 HA ASP A 30 5.447 13.729 -10.030 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.439 13.545 -7.644 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.634 14.750 -7.208 1.00 0.00 H new ATOM 468 N HIS A 31 7.131 15.905 -9.393 1.00 0.00 N ATOM 469 CA HIS A 31 8.295 16.853 -9.482 1.00 0.00 C ATOM 470 C HIS A 31 9.017 17.106 -8.176 1.00 0.00 C ATOM 471 O HIS A 31 10.209 17.307 -8.160 1.00 0.00 O ATOM 472 CB HIS A 31 7.908 18.274 -9.928 1.00 0.00 C ATOM 473 CG HIS A 31 7.612 18.403 -11.431 1.00 0.00 C ATOM 474 ND1 HIS A 31 8.341 19.068 -12.274 1.00 0.00 N ATOM 475 CD2 HIS A 31 6.579 17.888 -12.205 1.00 0.00 C ATOM 476 CE1 HIS A 31 7.822 18.983 -13.457 1.00 0.00 C ATOM 477 NE2 HIS A 31 6.730 18.262 -13.460 1.00 0.00 N ATOM 0 H HIS A 31 6.223 16.349 -9.525 1.00 0.00 H new ATOM 0 HA HIS A 31 8.921 16.328 -10.203 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.029 18.592 -9.367 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.717 18.957 -9.668 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.773 17.273 -11.834 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.240 19.451 -14.336 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.131 18.039 -14.255 1.00 0.00 H new ATOM 485 N ARG A 32 8.255 17.109 -7.127 1.00 0.00 N ATOM 486 CA ARG A 32 8.822 17.364 -5.770 1.00 0.00 C ATOM 487 C ARG A 32 9.622 16.160 -5.291 1.00 0.00 C ATOM 488 O ARG A 32 10.675 16.323 -4.712 1.00 0.00 O ATOM 489 CB ARG A 32 7.663 17.627 -4.755 1.00 0.00 C ATOM 490 CG ARG A 32 7.838 18.800 -3.724 1.00 0.00 C ATOM 491 CD ARG A 32 8.983 18.579 -2.712 1.00 0.00 C ATOM 492 NE ARG A 32 8.501 19.000 -1.349 1.00 0.00 N ATOM 493 CZ ARG A 32 8.553 20.246 -0.942 1.00 0.00 C ATOM 494 NH1 ARG A 32 9.029 21.174 -1.728 1.00 0.00 N ATOM 495 NH2 ARG A 32 8.119 20.533 0.258 1.00 0.00 N ATOM 0 H ARG A 32 7.249 16.944 -7.146 1.00 0.00 H new ATOM 0 HA ARG A 32 9.476 18.234 -5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.755 17.818 -5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.498 16.709 -4.191 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.022 19.725 -4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.904 18.933 -3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.283 17.531 -2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.860 19.158 -3.000 1.00 0.00 H new ATOM 0 HE ARG A 32 8.121 18.292 -0.721 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.362 20.931 -2.661 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.068 22.142 -1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.750 19.795 0.857 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.150 21.495 0.595 1.00 0.00 H new ATOM 509 N GLY A 33 9.143 14.971 -5.510 1.00 0.00 N ATOM 510 CA GLY A 33 9.931 13.818 -5.021 1.00 0.00 C ATOM 511 C GLY A 33 9.031 12.596 -5.254 1.00 0.00 C ATOM 512 O GLY A 33 8.308 12.627 -6.235 1.00 0.00 O ATOM 0 H GLY A 33 8.270 14.753 -5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.872 13.724 -5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.181 13.929 -3.966 1.00 0.00 H new ATOM 516 N THR A 34 9.043 11.577 -4.421 1.00 0.00 N ATOM 517 CA THR A 34 8.171 10.398 -4.669 1.00 0.00 C ATOM 518 C THR A 34 7.470 10.085 -3.317 1.00 0.00 C ATOM 519 O THR A 34 7.917 10.656 -2.337 1.00 0.00 O ATOM 520 CB THR A 34 9.172 9.309 -5.193 1.00 0.00 C ATOM 521 OG1 THR A 34 8.502 8.083 -5.471 1.00 0.00 O ATOM 522 CG2 THR A 34 10.253 8.972 -4.120 1.00 0.00 C ATOM 0 H THR A 34 9.622 11.519 -3.583 1.00 0.00 H new ATOM 0 HA THR A 34 7.368 10.504 -5.398 1.00 0.00 H new ATOM 0 HB THR A 34 9.624 9.726 -6.093 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.588 8.270 -5.771 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.932 8.215 -4.513 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.816 9.873 -3.876 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.767 8.593 -3.221 1.00 0.00 H new ATOM 530 N ILE A 35 6.451 9.236 -3.297 1.00 0.00 N ATOM 531 CA ILE A 35 5.739 8.888 -2.021 1.00 0.00 C ATOM 532 C ILE A 35 5.342 7.385 -2.180 1.00 0.00 C ATOM 533 O ILE A 35 5.345 6.911 -3.311 1.00 0.00 O ATOM 534 CB ILE A 35 4.435 9.722 -1.831 1.00 0.00 C ATOM 535 CG1 ILE A 35 4.624 11.147 -2.419 1.00 0.00 C ATOM 536 CG2 ILE A 35 4.133 9.860 -0.313 1.00 0.00 C ATOM 537 CD1 ILE A 35 3.449 12.054 -2.002 1.00 0.00 C ATOM 0 H ILE A 35 6.084 8.768 -4.125 1.00 0.00 H new ATOM 0 HA ILE A 35 6.378 9.091 -1.161 1.00 0.00 H new ATOM 0 HB ILE A 35 3.616 9.216 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.564 11.572 -2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.685 11.095 -3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.222 10.442 -0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.000 8.870 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.964 10.365 0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.592 13.050 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.515 11.635 -2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.408 12.119 -0.915 1.00 0.00 H new ATOM 549 N ILE A 36 5.012 6.727 -1.075 1.00 0.00 N ATOM 550 CA ILE A 36 4.611 5.275 -1.044 1.00 0.00 C ATOM 551 C ILE A 36 3.385 5.147 -0.079 1.00 0.00 C ATOM 552 O ILE A 36 3.363 5.948 0.841 1.00 0.00 O ATOM 553 CB ILE A 36 5.756 4.423 -0.430 1.00 0.00 C ATOM 554 CG1 ILE A 36 7.150 5.034 -0.779 1.00 0.00 C ATOM 555 CG2 ILE A 36 5.692 2.947 -0.867 1.00 0.00 C ATOM 556 CD1 ILE A 36 8.282 4.138 -0.231 1.00 0.00 C ATOM 0 H ILE A 36 5.007 7.165 -0.154 1.00 0.00 H new ATOM 0 HA ILE A 36 4.387 4.935 -2.055 1.00 0.00 H new ATOM 0 HB ILE A 36 5.619 4.445 0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.249 5.136 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.232 6.035 -0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.514 2.396 -0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.744 2.514 -0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.773 2.885 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.247 4.577 -0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.191 4.058 0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.208 3.146 -0.676 1.00 0.00 H new ATOM 568 N GLU A 37 2.429 4.241 -0.247 1.00 0.00 N ATOM 569 CA GLU A 37 1.299 4.174 0.754 1.00 0.00 C ATOM 570 C GLU A 37 0.879 2.678 0.778 1.00 0.00 C ATOM 571 O GLU A 37 1.315 1.981 -0.125 1.00 0.00 O ATOM 572 CB GLU A 37 0.093 5.144 0.355 1.00 0.00 C ATOM 573 CG GLU A 37 -0.950 4.709 -0.673 1.00 0.00 C ATOM 574 CD GLU A 37 -1.898 5.921 -0.849 1.00 0.00 C ATOM 575 OE1 GLU A 37 -2.469 6.345 0.145 1.00 0.00 O ATOM 576 OE2 GLU A 37 -1.995 6.362 -1.983 1.00 0.00 O ATOM 0 H GLU A 37 2.384 3.566 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 37 1.604 4.517 1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.443 5.384 1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.534 6.072 -0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.479 4.440 -1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.497 3.831 -0.328 1.00 0.00 H new ATOM 583 N ARG A 38 0.078 2.223 1.733 1.00 0.00 N ATOM 584 CA ARG A 38 -0.371 0.768 1.853 1.00 0.00 C ATOM 585 C ARG A 38 -1.904 0.568 2.057 1.00 0.00 C ATOM 586 O ARG A 38 -2.520 1.525 2.481 1.00 0.00 O ATOM 587 CB ARG A 38 0.358 0.142 3.062 1.00 0.00 C ATOM 588 CG ARG A 38 1.846 -0.117 2.723 1.00 0.00 C ATOM 589 CD ARG A 38 2.836 0.052 3.913 1.00 0.00 C ATOM 590 NE ARG A 38 4.038 -0.786 3.592 1.00 0.00 N ATOM 591 CZ ARG A 38 5.199 -0.621 4.177 1.00 0.00 C ATOM 592 NH1 ARG A 38 5.365 0.302 5.086 1.00 0.00 N ATOM 593 NH2 ARG A 38 6.176 -1.412 3.821 1.00 0.00 N ATOM 0 H ARG A 38 -0.300 2.823 2.466 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.124 0.292 0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.285 0.807 3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.126 -0.794 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.942 -1.130 2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.144 0.562 1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.115 1.098 4.039 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.377 -0.270 4.848 1.00 0.00 H new ATOM 0 HE ARG A 38 3.948 -1.517 2.887 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.586 0.905 5.349 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.274 0.420 5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.020 -2.127 3.110 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.095 -1.315 4.254 1.00 0.00 H new ATOM 607 N GLY A 39 -2.487 -0.596 1.797 1.00 0.00 N ATOM 608 CA GLY A 39 -3.975 -0.733 2.015 1.00 0.00 C ATOM 609 C GLY A 39 -4.521 -2.209 1.939 1.00 0.00 C ATOM 610 O GLY A 39 -3.713 -3.118 1.841 1.00 0.00 O ATOM 0 H GLY A 39 -2.011 -1.431 1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.225 -0.318 2.992 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.494 -0.130 1.270 1.00 0.00 H new ATOM 614 N CYS A 40 -5.838 -2.403 1.971 1.00 0.00 N ATOM 615 CA CYS A 40 -6.492 -3.774 1.910 1.00 0.00 C ATOM 616 C CYS A 40 -7.093 -3.917 0.503 1.00 0.00 C ATOM 617 O CYS A 40 -7.604 -2.936 0.000 1.00 0.00 O ATOM 618 CB CYS A 40 -7.773 -3.989 2.853 1.00 0.00 C ATOM 619 SG CYS A 40 -7.765 -4.242 4.658 1.00 0.00 S ATOM 0 H CYS A 40 -6.508 -1.637 2.039 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.708 -4.471 2.207 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -8.408 -3.120 2.684 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.297 -4.851 2.441 1.00 0.00 H new ATOM 624 N GLY A 41 -7.057 -5.059 -0.133 1.00 0.00 N ATOM 625 CA GLY A 41 -7.676 -5.120 -1.494 1.00 0.00 C ATOM 626 C GLY A 41 -6.565 -5.125 -2.537 1.00 0.00 C ATOM 627 O GLY A 41 -5.429 -5.159 -2.109 1.00 0.00 O ATOM 0 H GLY A 41 -6.642 -5.924 0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.289 -6.016 -1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.335 -4.265 -1.648 1.00 0.00 H new ATOM 631 N CYS A 42 -6.880 -5.099 -3.822 1.00 0.00 N ATOM 632 CA CYS A 42 -5.841 -5.101 -4.918 1.00 0.00 C ATOM 633 C CYS A 42 -6.416 -4.366 -6.191 1.00 0.00 C ATOM 634 O CYS A 42 -6.750 -5.053 -7.128 1.00 0.00 O ATOM 635 CB CYS A 42 -5.476 -6.609 -5.243 1.00 0.00 C ATOM 636 SG CYS A 42 -4.180 -7.120 -6.411 1.00 0.00 S ATOM 0 H CYS A 42 -7.841 -5.076 -4.164 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.941 -4.571 -4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -5.224 -7.072 -4.289 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.398 -7.076 -5.590 1.00 0.00 H new ATOM 641 N PRO A 43 -6.565 -3.051 -6.225 1.00 0.00 N ATOM 642 CA PRO A 43 -7.103 -2.260 -7.415 1.00 0.00 C ATOM 643 C PRO A 43 -6.307 -2.225 -8.776 1.00 0.00 C ATOM 644 O PRO A 43 -5.270 -2.841 -8.891 1.00 0.00 O ATOM 645 CB PRO A 43 -7.289 -0.841 -6.882 1.00 0.00 C ATOM 646 CG PRO A 43 -7.334 -1.023 -5.323 1.00 0.00 C ATOM 647 CD PRO A 43 -6.275 -2.148 -5.087 1.00 0.00 C ATOM 0 HA PRO A 43 -8.000 -2.788 -7.739 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.468 -0.190 -7.184 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.208 -0.391 -7.258 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.074 -0.103 -4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.324 -1.318 -4.977 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.254 -1.766 -5.113 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.406 -2.642 -4.124 1.00 0.00 H new ATOM 655 N THR A 44 -6.790 -1.481 -9.755 1.00 0.00 N ATOM 656 CA THR A 44 -6.110 -1.409 -11.078 1.00 0.00 C ATOM 657 C THR A 44 -4.793 -0.563 -11.169 1.00 0.00 C ATOM 658 O THR A 44 -4.486 0.184 -10.260 1.00 0.00 O ATOM 659 CB THR A 44 -7.240 -0.904 -12.012 1.00 0.00 C ATOM 660 OG1 THR A 44 -7.792 0.186 -11.276 1.00 0.00 O ATOM 661 CG2 THR A 44 -8.462 -1.879 -12.043 1.00 0.00 C ATOM 0 H THR A 44 -7.637 -0.918 -9.682 1.00 0.00 H new ATOM 0 HA THR A 44 -5.699 -2.381 -11.349 1.00 0.00 H new ATOM 0 HB THR A 44 -6.840 -0.736 -13.012 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.527 0.586 -11.786 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.227 -1.482 -12.710 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.139 -2.856 -12.402 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.873 -1.979 -11.039 1.00 0.00 H new ATOM 669 N VAL A 45 -4.085 -0.690 -12.276 1.00 0.00 N ATOM 670 CA VAL A 45 -2.801 0.041 -12.507 1.00 0.00 C ATOM 671 C VAL A 45 -3.116 1.082 -13.604 1.00 0.00 C ATOM 672 O VAL A 45 -4.165 0.945 -14.202 1.00 0.00 O ATOM 673 CB VAL A 45 -1.742 -0.969 -13.029 1.00 0.00 C ATOM 674 CG1 VAL A 45 -0.280 -0.539 -12.742 1.00 0.00 C ATOM 675 CG2 VAL A 45 -2.043 -2.415 -12.517 1.00 0.00 C ATOM 0 H VAL A 45 -4.361 -1.293 -13.051 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.415 0.512 -11.603 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.830 -0.972 -14.115 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.404 -1.291 -13.134 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.081 0.419 -13.223 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.134 -0.442 -11.666 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.286 -3.101 -12.898 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.027 -2.426 -11.427 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.026 -2.728 -12.869 1.00 0.00 H new ATOM 685 N LYS A 46 -2.233 2.036 -13.824 1.00 0.00 N ATOM 686 CA LYS A 46 -2.389 3.116 -14.858 1.00 0.00 C ATOM 687 C LYS A 46 -0.928 3.491 -15.152 1.00 0.00 C ATOM 688 O LYS A 46 -0.122 3.351 -14.256 1.00 0.00 O ATOM 689 CB LYS A 46 -3.087 4.368 -14.307 1.00 0.00 C ATOM 690 CG LYS A 46 -4.639 4.257 -14.369 1.00 0.00 C ATOM 691 CD LYS A 46 -5.263 5.388 -13.510 1.00 0.00 C ATOM 692 CE LYS A 46 -6.748 5.570 -13.867 1.00 0.00 C ATOM 693 NZ LYS A 46 -7.405 6.456 -12.862 1.00 0.00 N ATOM 0 H LYS A 46 -1.363 2.110 -13.297 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.984 2.778 -15.706 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.778 4.528 -13.274 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.765 5.240 -14.875 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.981 4.336 -15.401 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.961 3.283 -14.000 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.163 5.148 -12.452 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.724 6.321 -13.677 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.842 6.003 -14.863 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.247 4.601 -13.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.408 6.576 -13.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.329 6.026 -11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.936 7.384 -12.859 1.00 0.00 H new ATOM 707 N PRO A 47 -0.589 3.956 -16.330 1.00 0.00 N ATOM 708 CA PRO A 47 0.811 4.323 -16.642 1.00 0.00 C ATOM 709 C PRO A 47 1.272 5.516 -15.835 1.00 0.00 C ATOM 710 O PRO A 47 0.597 6.525 -15.839 1.00 0.00 O ATOM 711 CB PRO A 47 0.844 4.630 -18.133 1.00 0.00 C ATOM 712 CG PRO A 47 -0.619 5.098 -18.430 1.00 0.00 C ATOM 713 CD PRO A 47 -1.490 4.191 -17.495 1.00 0.00 C ATOM 0 HA PRO A 47 1.489 3.509 -16.385 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.572 5.407 -18.369 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.114 3.752 -18.720 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.756 6.156 -18.204 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.879 4.960 -19.479 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.414 4.686 -17.198 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.771 3.258 -17.984 1.00 0.00 H new ATOM 721 N GLY A 48 2.382 5.389 -15.179 1.00 0.00 N ATOM 722 CA GLY A 48 2.848 6.539 -14.402 1.00 0.00 C ATOM 723 C GLY A 48 2.822 6.108 -12.960 1.00 0.00 C ATOM 724 O GLY A 48 3.549 6.662 -12.159 1.00 0.00 O ATOM 0 H GLY A 48 2.970 4.556 -15.151 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.854 6.831 -14.703 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.204 7.404 -14.562 1.00 0.00 H new ATOM 728 N ILE A 49 2.013 5.136 -12.642 1.00 0.00 N ATOM 729 CA ILE A 49 1.949 4.694 -11.228 1.00 0.00 C ATOM 730 C ILE A 49 2.420 3.234 -11.259 1.00 0.00 C ATOM 731 O ILE A 49 2.395 2.673 -12.338 1.00 0.00 O ATOM 732 CB ILE A 49 0.460 4.883 -10.829 1.00 0.00 C ATOM 733 CG1 ILE A 49 0.071 6.392 -10.959 1.00 0.00 C ATOM 734 CG2 ILE A 49 0.152 4.386 -9.408 1.00 0.00 C ATOM 735 CD1 ILE A 49 -1.458 6.544 -10.936 1.00 0.00 C ATOM 0 H ILE A 49 1.404 4.638 -13.291 1.00 0.00 H new ATOM 0 HA ILE A 49 2.563 5.231 -10.505 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.135 4.276 -11.512 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.514 6.962 -10.142 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.472 6.801 -11.887 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.904 4.545 -9.188 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.381 3.323 -9.337 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.759 4.937 -8.690 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.720 7.598 -11.027 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.891 5.989 -11.768 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.848 6.153 -9.997 1.00 0.00 H new ATOM 747 N LYS A 50 2.826 2.665 -10.137 1.00 0.00 N ATOM 748 CA LYS A 50 3.288 1.231 -10.111 1.00 0.00 C ATOM 749 C LYS A 50 2.498 0.632 -8.930 1.00 0.00 C ATOM 750 O LYS A 50 2.254 1.383 -7.998 1.00 0.00 O ATOM 751 CB LYS A 50 4.815 1.124 -9.817 1.00 0.00 C ATOM 752 CG LYS A 50 5.660 1.071 -11.142 1.00 0.00 C ATOM 753 CD LYS A 50 7.174 1.286 -10.836 1.00 0.00 C ATOM 754 CE LYS A 50 8.038 0.864 -12.044 1.00 0.00 C ATOM 755 NZ LYS A 50 9.450 1.313 -11.846 1.00 0.00 N ATOM 0 H LYS A 50 2.856 3.138 -9.234 1.00 0.00 H new ATOM 0 HA LYS A 50 3.125 0.728 -11.064 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.131 1.978 -9.218 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.010 0.230 -9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.516 0.109 -11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.311 1.838 -11.834 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.357 2.334 -10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.459 0.706 -9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.006 -0.219 -12.164 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.635 1.298 -12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.816 1.709 -12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.482 2.041 -11.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.035 0.502 -11.561 1.00 0.00 H new ATOM 769 N LEU A 51 2.139 -0.642 -8.959 1.00 0.00 N ATOM 770 CA LEU A 51 1.349 -1.278 -7.835 1.00 0.00 C ATOM 771 C LEU A 51 1.919 -2.686 -7.581 1.00 0.00 C ATOM 772 O LEU A 51 2.630 -3.139 -8.456 1.00 0.00 O ATOM 773 CB LEU A 51 -0.120 -1.418 -8.271 1.00 0.00 C ATOM 774 CG LEU A 51 -1.126 -1.363 -7.088 1.00 0.00 C ATOM 775 CD1 LEU A 51 -2.329 -0.488 -7.544 1.00 0.00 C ATOM 776 CD2 LEU A 51 -1.664 -2.791 -6.734 1.00 0.00 C ATOM 0 H LEU A 51 2.363 -1.277 -9.725 1.00 0.00 H new ATOM 0 HA LEU A 51 1.415 -0.666 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.358 -0.623 -8.977 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.245 -2.363 -8.800 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.628 -0.955 -6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.060 -0.425 -6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.977 0.513 -7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.794 -0.938 -8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.365 -2.720 -5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.171 -3.214 -7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.831 -3.434 -6.451 1.00 0.00 H new ATOM 788 N ASN A 52 1.624 -3.317 -6.456 1.00 0.00 N ATOM 789 CA ASN A 52 2.132 -4.717 -6.129 1.00 0.00 C ATOM 790 C ASN A 52 1.120 -5.328 -5.155 1.00 0.00 C ATOM 791 O ASN A 52 0.602 -4.522 -4.403 1.00 0.00 O ATOM 792 CB ASN A 52 3.469 -4.726 -5.397 1.00 0.00 C ATOM 793 CG ASN A 52 4.601 -4.917 -6.418 1.00 0.00 C ATOM 794 OD1 ASN A 52 5.000 -6.034 -6.682 1.00 0.00 O ATOM 795 ND2 ASN A 52 5.147 -3.893 -7.021 1.00 0.00 N ATOM 0 H ASN A 52 1.036 -2.913 -5.727 1.00 0.00 H new ATOM 0 HA ASN A 52 2.254 -5.253 -7.070 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.606 -3.791 -4.854 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.488 -5.529 -4.660 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.894 -4.040 -7.700 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.826 -2.948 -6.813 1.00 0.00 H new ATOM 802 N CYS A 53 0.853 -6.626 -5.132 1.00 0.00 N ATOM 803 CA CYS A 53 -0.159 -7.218 -4.161 1.00 0.00 C ATOM 804 C CYS A 53 0.372 -8.531 -3.543 1.00 0.00 C ATOM 805 O CYS A 53 1.209 -9.139 -4.186 1.00 0.00 O ATOM 806 CB CYS A 53 -1.492 -7.612 -4.856 1.00 0.00 C ATOM 807 SG CYS A 53 -2.397 -6.366 -5.814 1.00 0.00 S ATOM 0 H CYS A 53 1.295 -7.309 -5.748 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.323 -6.440 -3.415 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.279 -8.447 -5.524 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -2.166 -7.985 -4.084 1.00 0.00 H new ATOM 812 N CYS A 54 -0.090 -8.944 -2.373 1.00 0.00 N ATOM 813 CA CYS A 54 0.409 -10.233 -1.762 1.00 0.00 C ATOM 814 C CYS A 54 -0.757 -10.993 -1.093 1.00 0.00 C ATOM 815 O CYS A 54 -1.779 -10.366 -0.845 1.00 0.00 O ATOM 816 CB CYS A 54 1.520 -9.972 -0.682 1.00 0.00 C ATOM 817 SG CYS A 54 1.561 -8.499 0.377 1.00 0.00 S ATOM 0 H CYS A 54 -0.787 -8.447 -1.819 1.00 0.00 H new ATOM 0 HA CYS A 54 0.836 -10.827 -2.570 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.504 -10.831 -0.012 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.473 -9.997 -1.210 1.00 0.00 H new ATOM 822 N THR A 55 -0.590 -12.275 -0.827 1.00 0.00 N ATOM 823 CA THR A 55 -1.670 -13.061 -0.188 1.00 0.00 C ATOM 824 C THR A 55 -1.153 -13.703 1.126 1.00 0.00 C ATOM 825 O THR A 55 -1.908 -14.349 1.832 1.00 0.00 O ATOM 826 CB THR A 55 -2.112 -14.169 -1.190 1.00 0.00 C ATOM 827 OG1 THR A 55 -0.972 -15.012 -1.327 1.00 0.00 O ATOM 828 CG2 THR A 55 -2.232 -13.640 -2.646 1.00 0.00 C ATOM 0 H THR A 55 0.260 -12.801 -1.032 1.00 0.00 H new ATOM 0 HA THR A 55 -2.514 -12.417 0.059 1.00 0.00 H new ATOM 0 HB THR A 55 -3.047 -14.596 -0.828 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.177 -15.742 -1.948 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.543 -14.452 -3.304 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.971 -12.840 -2.683 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.266 -13.256 -2.975 1.00 0.00 H new ATOM 836 N THR A 56 0.089 -13.528 1.447 1.00 0.00 N ATOM 837 CA THR A 56 0.537 -14.173 2.688 1.00 0.00 C ATOM 838 C THR A 56 0.270 -13.228 3.866 1.00 0.00 C ATOM 839 O THR A 56 0.165 -12.034 3.686 1.00 0.00 O ATOM 840 CB THR A 56 2.002 -14.483 2.393 1.00 0.00 C ATOM 841 OG1 THR A 56 2.312 -13.492 1.411 1.00 0.00 O ATOM 842 CG2 THR A 56 2.163 -15.830 1.621 1.00 0.00 C ATOM 0 H THR A 56 0.783 -12.991 0.928 1.00 0.00 H new ATOM 0 HA THR A 56 0.021 -15.088 2.978 1.00 0.00 H new ATOM 0 HB THR A 56 2.594 -14.514 3.308 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.248 -13.586 1.135 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.220 -16.016 1.430 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.754 -16.644 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.627 -15.773 0.673 1.00 0.00 H new ATOM 850 N ASP A 57 0.186 -13.775 5.045 1.00 0.00 N ATOM 851 CA ASP A 57 -0.088 -12.895 6.200 1.00 0.00 C ATOM 852 C ASP A 57 1.093 -12.029 6.582 1.00 0.00 C ATOM 853 O ASP A 57 2.204 -12.512 6.618 1.00 0.00 O ATOM 854 CB ASP A 57 -0.469 -13.728 7.432 1.00 0.00 C ATOM 855 CG ASP A 57 -1.796 -14.473 7.197 1.00 0.00 C ATOM 856 OD1 ASP A 57 -1.794 -15.413 6.417 1.00 0.00 O ATOM 857 OD2 ASP A 57 -2.749 -14.043 7.826 1.00 0.00 O ATOM 0 H ASP A 57 0.293 -14.768 5.252 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.908 -12.248 5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.322 -14.445 7.651 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.560 -13.078 8.302 1.00 0.00 H new ATOM 862 N LYS A 58 0.740 -10.802 6.867 1.00 0.00 N ATOM 863 CA LYS A 58 1.642 -9.685 7.283 1.00 0.00 C ATOM 864 C LYS A 58 2.862 -9.602 6.384 1.00 0.00 C ATOM 865 O LYS A 58 3.984 -9.593 6.847 1.00 0.00 O ATOM 866 CB LYS A 58 2.103 -9.883 8.758 1.00 0.00 C ATOM 867 CG LYS A 58 0.850 -10.261 9.629 1.00 0.00 C ATOM 868 CD LYS A 58 0.850 -9.638 11.066 1.00 0.00 C ATOM 869 CE LYS A 58 2.104 -9.990 11.891 1.00 0.00 C ATOM 870 NZ LYS A 58 2.277 -11.465 12.008 1.00 0.00 N ATOM 0 H LYS A 58 -0.235 -10.507 6.821 1.00 0.00 H new ATOM 0 HA LYS A 58 1.079 -8.756 7.197 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.856 -10.669 8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.565 -8.971 9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.051 -9.939 9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.797 -11.346 9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.772 -8.554 10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.035 -9.981 11.602 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.986 -9.554 11.421 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.023 -9.551 12.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.109 -11.671 12.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.431 -11.880 12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.412 -11.875 11.062 1.00 0.00 H new ATOM 884 N CYS A 59 2.582 -9.516 5.116 1.00 0.00 N ATOM 885 CA CYS A 59 3.657 -9.432 4.098 1.00 0.00 C ATOM 886 C CYS A 59 4.229 -8.043 3.984 1.00 0.00 C ATOM 887 O CYS A 59 5.410 -7.847 3.787 1.00 0.00 O ATOM 888 CB CYS A 59 3.099 -9.823 2.725 1.00 0.00 C ATOM 889 SG CYS A 59 1.454 -9.196 2.274 1.00 0.00 S ATOM 0 H CYS A 59 1.635 -9.500 4.737 1.00 0.00 H new ATOM 0 HA CYS A 59 4.447 -10.112 4.416 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.806 -9.486 1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.070 -10.911 2.672 1.00 0.00 H new ATOM 894 N ASN A 60 3.374 -7.085 4.117 1.00 0.00 N ATOM 895 CA ASN A 60 3.837 -5.673 4.001 1.00 0.00 C ATOM 896 C ASN A 60 4.162 -5.117 5.343 1.00 0.00 C ATOM 897 O ASN A 60 3.793 -4.003 5.654 1.00 0.00 O ATOM 898 CB ASN A 60 2.755 -4.777 3.406 1.00 0.00 C ATOM 899 CG ASN A 60 1.450 -4.906 4.231 1.00 0.00 C ATOM 900 OD1 ASN A 60 1.399 -5.582 5.247 1.00 0.00 O ATOM 901 ND2 ASN A 60 0.369 -4.283 3.829 1.00 0.00 N ATOM 0 H ASN A 60 2.378 -7.208 4.300 1.00 0.00 H new ATOM 0 HA ASN A 60 4.715 -5.688 3.355 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.091 -3.740 3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.569 -5.057 2.369 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.496 -4.367 4.362 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.393 -3.714 2.983 1.00 0.00 H new ATOM 908 N ASN A 61 4.868 -5.898 6.095 1.00 0.00 N ATOM 909 CA ASN A 61 5.244 -5.447 7.469 1.00 0.00 C ATOM 910 C ASN A 61 6.451 -4.547 7.437 1.00 0.00 C ATOM 911 O ASN A 61 7.327 -4.844 6.643 1.00 0.00 O ATOM 912 CB ASN A 61 5.570 -6.660 8.337 1.00 0.00 C ATOM 913 CG ASN A 61 6.347 -6.202 9.577 1.00 0.00 C ATOM 914 OD1 ASN A 61 7.556 -6.316 9.625 1.00 0.00 O ATOM 915 ND2 ASN A 61 5.714 -5.684 10.596 1.00 0.00 N ATOM 916 OXT ASN A 61 6.432 -3.605 8.211 1.00 0.00 O ATOM 0 H ASN A 61 5.203 -6.824 5.829 1.00 0.00 H new ATOM 0 HA ASN A 61 4.399 -4.895 7.881 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.652 -7.165 8.635 1.00 0.00 H new ATOM 0 HB3 ASN A 61 6.160 -7.380 7.769 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.234 -5.381 11.419 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.699 -5.583 10.568 1.00 0.00 H new TER 923 ASN A 61