USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.47) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 44:sc= 0.812 USER MOD Single : A 15 LYS NZ :NH3+ -128:sc= -0.178 (180deg=-0.75) USER MOD Single : A 16 ASN : amide:sc= 0.422 K(o=0.42,f=-3.7!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=0) USER MOD Single : A 30 SER OG : 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 47 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 63 LYS NZ :NH3+ -156:sc= -0.566 (180deg=-0.73) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.3!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 103:sc= 1.27 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.954 -2.058 -1.934 1.00 72.21 N ATOM 2 CA SER A 1 3.548 -1.206 -0.910 1.00 21.12 C ATOM 3 C SER A 1 5.070 -1.220 -1.010 1.00 45.33 C ATOM 4 O SER A 1 5.703 -0.176 -1.167 1.00 4.45 O ATOM 5 CB SER A 1 3.112 -1.665 0.482 1.00 10.44 C ATOM 6 OG SER A 1 4.001 -1.189 1.477 1.00 60.43 O ATOM 0 H1 SER A 1 1.918 -2.034 -1.848 1.00 72.21 H new ATOM 0 H2 SER A 1 3.231 -1.714 -2.875 1.00 72.21 H new ATOM 0 H3 SER A 1 3.289 -3.035 -1.810 1.00 72.21 H new ATOM 0 HA SER A 1 3.199 -0.186 -1.073 1.00 21.12 H new ATOM 0 HB2 SER A 1 2.104 -1.305 0.688 1.00 10.44 H new ATOM 0 HB3 SER A 1 3.074 -2.754 0.514 1.00 10.44 H new ATOM 0 HG SER A 1 3.700 -1.495 2.358 1.00 60.43 H new ATOM 12 N ASN A 2 5.653 -2.411 -0.916 1.00 23.30 N ATOM 13 CA ASN A 2 7.101 -2.562 -0.994 1.00 5.33 C ATOM 14 C ASN A 2 7.588 -2.397 -2.431 1.00 74.30 C ATOM 15 O ASN A 2 6.851 -2.659 -3.381 1.00 40.12 O ATOM 16 CB ASN A 2 7.522 -3.931 -0.455 1.00 13.33 C ATOM 17 CG ASN A 2 9.019 -4.151 -0.541 1.00 3.04 C ATOM 18 OD1 ASN A 2 9.807 -3.340 -0.052 1.00 33.21 O ATOM 19 ND2 ASN A 2 9.421 -5.252 -1.166 1.00 61.32 N ATOM 0 H ASN A 2 5.144 -3.285 -0.786 1.00 23.30 H new ATOM 0 HA ASN A 2 7.556 -1.783 -0.383 1.00 5.33 H new ATOM 0 HB2 ASN A 2 7.203 -4.023 0.583 1.00 13.33 H new ATOM 0 HB3 ASN A 2 7.010 -4.712 -1.016 1.00 13.33 H new ATOM 0 HD21 ASN A 2 10.417 -5.453 -1.256 1.00 61.32 H new ATOM 0 HD22 ASN A 2 8.734 -5.897 -1.556 1.00 61.32 H new ATOM 26 N GLU A 3 8.836 -1.964 -2.581 1.00 13.45 N ATOM 27 CA GLU A 3 9.421 -1.765 -3.901 1.00 73.43 C ATOM 28 C GLU A 3 9.480 -3.078 -4.674 1.00 44.23 C ATOM 29 O GLU A 3 9.090 -4.129 -4.166 1.00 60.13 O ATOM 30 CB GLU A 3 10.826 -1.171 -3.777 1.00 22.32 C ATOM 31 CG GLU A 3 10.844 0.348 -3.734 1.00 15.25 C ATOM 32 CD GLU A 3 10.376 0.973 -5.034 1.00 55.13 C ATOM 33 OE1 GLU A 3 10.311 0.249 -6.050 1.00 21.11 O1- ATOM 34 OE2 GLU A 3 10.075 2.185 -5.036 1.00 20.33 O ATOM 0 H GLU A 3 9.461 -1.745 -1.805 1.00 13.45 H new ATOM 0 HA GLU A 3 8.786 -1.069 -4.449 1.00 73.43 H new ATOM 0 HB2 GLU A 3 11.296 -1.557 -2.872 1.00 22.32 H new ATOM 0 HB3 GLU A 3 11.430 -1.509 -4.619 1.00 22.32 H new ATOM 0 HG2 GLU A 3 10.207 0.692 -2.919 1.00 15.25 H new ATOM 0 HG3 GLU A 3 11.855 0.690 -3.514 1.00 15.25 H new ATOM 41 N CYS A 4 9.968 -3.010 -5.908 1.00 52.22 N ATOM 42 CA CYS A 4 10.078 -4.194 -6.754 1.00 21.31 C ATOM 43 C CYS A 4 11.536 -4.605 -6.928 1.00 74.32 C ATOM 44 O CYS A 4 12.446 -3.902 -6.490 1.00 44.11 O ATOM 45 CB CYS A 4 9.444 -3.928 -8.121 1.00 51.15 C ATOM 46 SG CYS A 4 10.153 -2.501 -9.005 1.00 11.12 S ATOM 0 H CYS A 4 10.294 -2.148 -6.345 1.00 52.22 H new ATOM 0 HA CYS A 4 9.546 -5.010 -6.266 1.00 21.31 H new ATOM 0 HB2 CYS A 4 9.556 -4.818 -8.741 1.00 51.15 H new ATOM 0 HB3 CYS A 4 8.375 -3.765 -7.988 1.00 51.15 H new ATOM 51 N ILE A 5 11.749 -5.748 -7.571 1.00 31.52 N ATOM 52 CA ILE A 5 13.098 -6.252 -7.804 1.00 72.10 C ATOM 53 C ILE A 5 13.856 -5.362 -8.783 1.00 53.01 C ATOM 54 O ILE A 5 13.384 -5.095 -9.888 1.00 4.05 O ATOM 55 CB ILE A 5 13.073 -7.692 -8.350 1.00 12.53 C ATOM 56 CG1 ILE A 5 12.351 -8.620 -7.370 1.00 62.43 C ATOM 57 CG2 ILE A 5 14.489 -8.184 -8.609 1.00 31.52 C ATOM 58 CD1 ILE A 5 11.833 -9.889 -8.011 1.00 31.22 C ATOM 0 H ILE A 5 11.006 -6.342 -7.940 1.00 31.52 H new ATOM 0 HA ILE A 5 13.609 -6.245 -6.841 1.00 72.10 H new ATOM 0 HB ILE A 5 12.529 -7.698 -9.294 1.00 12.53 H new ATOM 0 HG12 ILE A 5 13.033 -8.883 -6.561 1.00 62.43 H new ATOM 0 HG13 ILE A 5 11.516 -8.082 -6.921 1.00 62.43 H new ATOM 0 HG21 ILE A 5 14.455 -9.203 -8.995 1.00 31.52 H new ATOM 0 HG22 ILE A 5 14.972 -7.535 -9.340 1.00 31.52 H new ATOM 0 HG23 ILE A 5 15.056 -8.167 -7.678 1.00 31.52 H new ATOM 0 HD11 ILE A 5 11.333 -10.499 -7.259 1.00 31.22 H new ATOM 0 HD12 ILE A 5 11.126 -9.635 -8.801 1.00 31.22 H new ATOM 0 HD13 ILE A 5 12.666 -10.448 -8.436 1.00 31.22 H new ATOM 70 N ARG A 6 15.034 -4.907 -8.369 1.00 34.14 N ATOM 71 CA ARG A 6 15.858 -4.047 -9.210 1.00 41.52 C ATOM 72 C ARG A 6 16.308 -4.786 -10.467 1.00 31.32 C ATOM 73 O ARG A 6 16.529 -5.997 -10.444 1.00 14.52 O ATOM 74 CB ARG A 6 17.080 -3.556 -8.430 1.00 30.43 C ATOM 75 CG ARG A 6 16.738 -2.581 -7.315 1.00 22.22 C ATOM 76 CD ARG A 6 16.485 -3.304 -6.002 1.00 30.33 C ATOM 77 NE ARG A 6 16.814 -2.472 -4.847 1.00 51.53 N ATOM 78 CZ ARG A 6 18.058 -2.177 -4.486 1.00 44.12 C ATOM 79 NH1 ARG A 6 19.083 -2.643 -5.184 1.00 51.33 N1+ ATOM 80 NH2 ARG A 6 18.277 -1.414 -3.422 1.00 11.21 N ATOM 0 H ARG A 6 15.439 -5.119 -7.457 1.00 34.14 H new ATOM 0 HA ARG A 6 15.256 -3.189 -9.509 1.00 41.52 H new ATOM 0 HB2 ARG A 6 17.598 -4.415 -8.004 1.00 30.43 H new ATOM 0 HB3 ARG A 6 17.773 -3.076 -9.121 1.00 30.43 H new ATOM 0 HG2 ARG A 6 17.554 -1.870 -7.189 1.00 22.22 H new ATOM 0 HG3 ARG A 6 15.854 -2.006 -7.591 1.00 22.22 H new ATOM 0 HD2 ARG A 6 15.438 -3.602 -5.948 1.00 30.33 H new ATOM 0 HD3 ARG A 6 17.078 -4.218 -5.971 1.00 30.33 H new ATOM 0 HE ARG A 6 16.047 -2.098 -4.288 1.00 51.53 H new ATOM 0 HH11 ARG A 6 18.918 -3.230 -6.002 1.00 51.33 H new ATOM 0 HH12 ARG A 6 20.037 -2.414 -4.904 1.00 51.33 H new ATOM 0 HH21 ARG A 6 17.490 -1.054 -2.882 1.00 11.21 H new ATOM 0 HH22 ARG A 6 19.232 -1.187 -3.145 1.00 11.21 H new ATOM 94 N LYS A 7 16.441 -4.049 -11.564 1.00 12.45 N ATOM 95 CA LYS A 7 16.866 -4.631 -12.832 1.00 74.33 C ATOM 96 C LYS A 7 18.248 -5.263 -12.705 1.00 3.13 C ATOM 97 O LYS A 7 19.149 -4.689 -12.093 1.00 45.21 O ATOM 98 CB LYS A 7 16.879 -3.564 -13.929 1.00 25.23 C ATOM 99 CG LYS A 7 16.988 -4.135 -15.332 1.00 71.33 C ATOM 100 CD LYS A 7 16.753 -3.068 -16.388 1.00 42.04 C ATOM 101 CE LYS A 7 17.985 -2.199 -16.585 1.00 22.14 C ATOM 102 NZ LYS A 7 17.820 -1.255 -17.725 1.00 43.20 N1+ ATOM 0 H LYS A 7 16.260 -3.046 -11.601 1.00 12.45 H new ATOM 0 HA LYS A 7 16.153 -5.410 -13.102 1.00 74.33 H new ATOM 0 HB2 LYS A 7 15.968 -2.970 -13.857 1.00 25.23 H new ATOM 0 HB3 LYS A 7 17.715 -2.887 -13.755 1.00 25.23 H new ATOM 0 HG2 LYS A 7 17.976 -4.575 -15.471 1.00 71.33 H new ATOM 0 HG3 LYS A 7 16.261 -4.938 -15.457 1.00 71.33 H new ATOM 0 HD2 LYS A 7 16.486 -3.542 -17.333 1.00 42.04 H new ATOM 0 HD3 LYS A 7 15.909 -2.444 -16.095 1.00 42.04 H new ATOM 0 HE2 LYS A 7 18.182 -1.636 -15.673 1.00 22.14 H new ATOM 0 HE3 LYS A 7 18.853 -2.834 -16.762 1.00 22.14 H new ATOM 0 HZ1 LYS A 7 18.681 -0.680 -17.827 1.00 43.20 H new ATOM 0 HZ2 LYS A 7 17.657 -1.793 -18.600 1.00 43.20 H new ATOM 0 HZ3 LYS A 7 17.007 -0.632 -17.545 1.00 43.20 H new ATOM 116 N TRP A 8 18.409 -6.446 -13.288 1.00 12.14 N ATOM 117 CA TRP A 8 19.682 -7.154 -13.240 1.00 60.14 C ATOM 118 C TRP A 8 20.124 -7.385 -11.799 1.00 43.13 C ATOM 119 O TRP A 8 21.249 -7.053 -11.423 1.00 71.13 O ATOM 120 CB TRP A 8 20.756 -6.367 -13.995 1.00 3.43 C ATOM 121 CG TRP A 8 20.614 -6.450 -15.485 1.00 52.22 C ATOM 122 CD1 TRP A 8 20.254 -5.440 -16.331 1.00 3.11 C ATOM 123 CD2 TRP A 8 20.830 -7.605 -16.304 1.00 13.05 C ATOM 124 NE1 TRP A 8 20.232 -5.899 -17.626 1.00 62.13 N ATOM 125 CE2 TRP A 8 20.582 -7.223 -17.636 1.00 53.22 C ATOM 126 CE3 TRP A 8 21.209 -8.924 -16.040 1.00 2.53 C ATOM 127 CZ2 TRP A 8 20.701 -8.113 -18.700 1.00 42.03 C ATOM 128 CZ3 TRP A 8 21.327 -9.806 -17.097 1.00 23.11 C ATOM 129 CH2 TRP A 8 21.075 -9.398 -18.413 1.00 64.05 C ATOM 0 H TRP A 8 17.674 -6.934 -13.799 1.00 12.14 H new ATOM 0 HA TRP A 8 19.547 -8.124 -13.719 1.00 60.14 H new ATOM 0 HB2 TRP A 8 20.712 -5.321 -13.690 1.00 3.43 H new ATOM 0 HB3 TRP A 8 21.739 -6.741 -13.709 1.00 3.43 H new ATOM 0 HD1 TRP A 8 20.021 -4.430 -16.027 1.00 3.11 H new ATOM 0 HE1 TRP A 8 19.993 -5.343 -18.447 1.00 62.13 H new ATOM 0 HE3 TRP A 8 21.406 -9.248 -15.029 1.00 2.53 H new ATOM 0 HZ2 TRP A 8 20.505 -7.801 -19.715 1.00 42.03 H new ATOM 0 HZ3 TRP A 8 21.619 -10.828 -16.905 1.00 23.11 H new ATOM 0 HH2 TRP A 8 21.178 -10.111 -19.217 1.00 64.05 H new ATOM 140 N LEU A 9 19.233 -7.956 -10.996 1.00 24.33 N ATOM 141 CA LEU A 9 19.531 -8.232 -9.595 1.00 13.42 C ATOM 142 C LEU A 9 19.364 -9.716 -9.285 1.00 32.14 C ATOM 143 O LEU A 9 20.318 -10.390 -8.894 1.00 32.51 O ATOM 144 CB LEU A 9 18.621 -7.403 -8.686 1.00 64.42 C ATOM 145 CG LEU A 9 19.009 -7.359 -7.208 1.00 13.01 C ATOM 146 CD1 LEU A 9 20.218 -6.461 -7.000 1.00 21.52 C ATOM 147 CD2 LEU A 9 17.837 -6.883 -6.364 1.00 2.10 C ATOM 0 H LEU A 9 18.298 -8.237 -11.291 1.00 24.33 H new ATOM 0 HA LEU A 9 20.569 -7.956 -9.409 1.00 13.42 H new ATOM 0 HB2 LEU A 9 18.596 -6.381 -9.065 1.00 64.42 H new ATOM 0 HB3 LEU A 9 17.608 -7.797 -8.763 1.00 64.42 H new ATOM 0 HG LEU A 9 19.273 -8.368 -6.891 1.00 13.01 H new ATOM 0 HD11 LEU A 9 20.479 -6.442 -5.942 1.00 21.52 H new ATOM 0 HD12 LEU A 9 21.060 -6.846 -7.575 1.00 21.52 H new ATOM 0 HD13 LEU A 9 19.982 -5.450 -7.334 1.00 21.52 H new ATOM 0 HD21 LEU A 9 18.131 -6.858 -5.315 1.00 2.10 H new ATOM 0 HD22 LEU A 9 17.542 -5.883 -6.682 1.00 2.10 H new ATOM 0 HD23 LEU A 9 16.997 -7.566 -6.489 1.00 2.10 H new ATOM 159 N SER A 10 18.147 -10.220 -9.464 1.00 45.25 N ATOM 160 CA SER A 10 17.854 -11.624 -9.201 1.00 64.14 C ATOM 161 C SER A 10 16.388 -11.935 -9.485 1.00 64.00 C ATOM 162 O SER A 10 15.490 -11.229 -9.025 1.00 53.42 O ATOM 163 CB SER A 10 18.191 -11.974 -7.750 1.00 54.12 C ATOM 164 OG SER A 10 18.963 -13.160 -7.679 1.00 65.41 O ATOM 0 H SER A 10 17.348 -9.677 -9.790 1.00 45.25 H new ATOM 0 HA SER A 10 18.471 -12.230 -9.865 1.00 64.14 H new ATOM 0 HB2 SER A 10 18.740 -11.151 -7.292 1.00 54.12 H new ATOM 0 HB3 SER A 10 17.271 -12.100 -7.180 1.00 54.12 H new ATOM 0 HG SER A 10 19.658 -13.140 -8.370 1.00 65.41 H new ATOM 170 N CYS A 11 16.152 -12.999 -10.246 1.00 71.34 N ATOM 171 CA CYS A 11 14.796 -13.406 -10.593 1.00 40.34 C ATOM 172 C CYS A 11 14.325 -14.547 -9.696 1.00 4.42 C ATOM 173 O CYS A 11 13.126 -14.799 -9.573 1.00 25.34 O ATOM 174 CB CYS A 11 14.729 -13.835 -12.061 1.00 32.52 C ATOM 175 SG CYS A 11 13.058 -14.286 -12.628 1.00 22.00 S ATOM 0 H CYS A 11 16.883 -13.595 -10.634 1.00 71.34 H new ATOM 0 HA CYS A 11 14.137 -12.551 -10.441 1.00 40.34 H new ATOM 0 HB2 CYS A 11 15.105 -13.023 -12.683 1.00 32.52 H new ATOM 0 HB3 CYS A 11 15.394 -14.686 -12.211 1.00 32.52 H new ATOM 180 N VAL A 12 15.276 -15.233 -9.072 1.00 1.33 N ATOM 181 CA VAL A 12 14.959 -16.346 -8.186 1.00 2.34 C ATOM 182 C VAL A 12 13.907 -15.947 -7.156 1.00 65.54 C ATOM 183 O VAL A 12 13.113 -16.776 -6.713 1.00 52.14 O ATOM 184 CB VAL A 12 16.214 -16.853 -7.451 1.00 70.43 C ATOM 185 CG1 VAL A 12 17.240 -17.378 -8.444 1.00 73.24 C ATOM 186 CG2 VAL A 12 16.810 -15.749 -6.590 1.00 54.01 C ATOM 0 H VAL A 12 16.273 -15.038 -9.164 1.00 1.33 H new ATOM 0 HA VAL A 12 14.565 -17.146 -8.812 1.00 2.34 H new ATOM 0 HB VAL A 12 15.923 -17.675 -6.797 1.00 70.43 H new ATOM 0 HG11 VAL A 12 18.119 -17.732 -7.906 1.00 73.24 H new ATOM 0 HG12 VAL A 12 16.808 -18.201 -9.013 1.00 73.24 H new ATOM 0 HG13 VAL A 12 17.529 -16.578 -9.126 1.00 73.24 H new ATOM 0 HG21 VAL A 12 17.696 -16.125 -6.078 1.00 54.01 H new ATOM 0 HG22 VAL A 12 17.087 -14.905 -7.221 1.00 54.01 H new ATOM 0 HG23 VAL A 12 16.075 -15.425 -5.853 1.00 54.01 H new ATOM 196 N ASP A 13 13.909 -14.673 -6.781 1.00 50.12 N ATOM 197 CA ASP A 13 12.953 -14.162 -5.805 1.00 21.44 C ATOM 198 C ASP A 13 11.536 -14.182 -6.370 1.00 13.52 C ATOM 199 O ASP A 13 10.706 -14.994 -5.961 1.00 20.24 O ATOM 200 CB ASP A 13 13.329 -12.740 -5.388 1.00 4.14 C ATOM 201 CG ASP A 13 14.716 -12.662 -4.781 1.00 12.14 C ATOM 202 OD1 ASP A 13 15.272 -13.724 -4.431 1.00 63.11 O ATOM 203 OD2 ASP A 13 15.246 -11.538 -4.657 1.00 51.22 O1- ATOM 0 H ASP A 13 14.562 -13.975 -7.138 1.00 50.12 H new ATOM 0 HA ASP A 13 12.984 -14.810 -4.929 1.00 21.44 H new ATOM 0 HB2 ASP A 13 13.279 -12.084 -6.257 1.00 4.14 H new ATOM 0 HB3 ASP A 13 12.599 -12.371 -4.668 1.00 4.14 H new ATOM 208 N ARG A 14 11.267 -13.283 -7.310 1.00 34.15 N ATOM 209 CA ARG A 14 9.949 -13.195 -7.928 1.00 11.34 C ATOM 210 C ARG A 14 10.067 -12.868 -9.414 1.00 1.34 C ATOM 211 O ARG A 14 10.538 -11.794 -9.789 1.00 5.14 O ATOM 212 CB ARG A 14 9.101 -12.132 -7.227 1.00 44.02 C ATOM 213 CG ARG A 14 9.081 -12.272 -5.714 1.00 11.43 C ATOM 214 CD ARG A 14 10.177 -11.443 -5.063 1.00 33.34 C ATOM 215 NE ARG A 14 9.715 -10.102 -4.715 1.00 31.23 N ATOM 216 CZ ARG A 14 8.900 -9.845 -3.699 1.00 33.30 C ATOM 217 NH1 ARG A 14 8.457 -10.835 -2.934 1.00 64.12 N1+ ATOM 218 NH2 ARG A 14 8.524 -8.599 -3.446 1.00 13.11 N ATOM 0 H ARG A 14 11.944 -12.605 -7.661 1.00 34.15 H new ATOM 0 HA ARG A 14 9.462 -14.164 -7.823 1.00 11.34 H new ATOM 0 HB2 ARG A 14 9.482 -11.145 -7.487 1.00 44.02 H new ATOM 0 HB3 ARG A 14 8.079 -12.188 -7.603 1.00 44.02 H new ATOM 0 HG2 ARG A 14 8.110 -11.958 -5.331 1.00 11.43 H new ATOM 0 HG3 ARG A 14 9.207 -13.320 -5.443 1.00 11.43 H new ATOM 0 HD2 ARG A 14 10.529 -11.950 -4.165 1.00 33.34 H new ATOM 0 HD3 ARG A 14 11.027 -11.369 -5.741 1.00 33.34 H new ATOM 0 HE ARG A 14 10.036 -9.319 -5.284 1.00 31.23 H new ATOM 0 HH11 ARG A 14 8.743 -11.795 -3.126 1.00 64.12 H new ATOM 0 HH12 ARG A 14 7.831 -10.636 -2.154 1.00 64.12 H new ATOM 0 HH21 ARG A 14 8.861 -7.836 -4.033 1.00 13.11 H new ATOM 0 HH22 ARG A 14 7.898 -8.404 -2.665 1.00 13.11 H new ATOM 232 N LYS A 15 9.636 -13.800 -10.257 1.00 52.10 N ATOM 233 CA LYS A 15 9.691 -13.612 -11.701 1.00 21.15 C ATOM 234 C LYS A 15 8.490 -12.811 -12.193 1.00 23.41 C ATOM 235 O LYS A 15 8.612 -11.979 -13.090 1.00 3.31 O ATOM 236 CB LYS A 15 9.740 -14.967 -12.412 1.00 22.05 C ATOM 237 CG LYS A 15 8.507 -15.823 -12.173 1.00 60.24 C ATOM 238 CD LYS A 15 8.833 -17.305 -12.258 1.00 23.34 C ATOM 239 CE LYS A 15 7.815 -18.143 -11.501 1.00 43.34 C ATOM 240 NZ LYS A 15 7.802 -17.821 -10.047 1.00 34.55 N1+ ATOM 0 H LYS A 15 9.244 -14.695 -9.964 1.00 52.10 H new ATOM 0 HA LYS A 15 10.597 -13.053 -11.934 1.00 21.15 H new ATOM 0 HB2 LYS A 15 9.856 -14.802 -13.483 1.00 22.05 H new ATOM 0 HB3 LYS A 15 10.622 -15.513 -12.076 1.00 22.05 H new ATOM 0 HG2 LYS A 15 8.090 -15.597 -11.192 1.00 60.24 H new ATOM 0 HG3 LYS A 15 7.742 -15.575 -12.909 1.00 60.24 H new ATOM 0 HD2 LYS A 15 8.856 -17.614 -13.303 1.00 23.34 H new ATOM 0 HD3 LYS A 15 9.828 -17.484 -11.851 1.00 23.34 H new ATOM 0 HE2 LYS A 15 6.823 -17.974 -11.919 1.00 43.34 H new ATOM 0 HE3 LYS A 15 8.042 -19.200 -11.637 1.00 43.34 H new ATOM 0 HZ1 LYS A 15 7.903 -18.697 -9.496 1.00 34.55 H new ATOM 0 HZ2 LYS A 15 8.591 -17.180 -9.826 1.00 34.55 H new ATOM 0 HZ3 LYS A 15 6.903 -17.360 -9.802 1.00 34.55 H new ATOM 254 N ASN A 16 7.330 -13.068 -11.596 1.00 74.22 N ATOM 255 CA ASN A 16 6.106 -12.370 -11.974 1.00 2.32 C ATOM 256 C ASN A 16 6.060 -10.978 -11.351 1.00 61.22 C ATOM 257 O ASN A 16 5.364 -10.089 -11.843 1.00 13.45 O ATOM 258 CB ASN A 16 4.880 -13.175 -11.538 1.00 35.24 C ATOM 259 CG ASN A 16 4.970 -13.631 -10.094 1.00 64.51 C ATOM 260 OD1 ASN A 16 5.825 -14.444 -9.741 1.00 50.32 O ATOM 261 ND2 ASN A 16 4.086 -13.108 -9.253 1.00 31.22 N ATOM 0 H ASN A 16 7.212 -13.753 -10.850 1.00 74.22 H new ATOM 0 HA ASN A 16 6.097 -12.265 -13.059 1.00 2.32 H new ATOM 0 HB2 ASN A 16 3.985 -12.567 -11.669 1.00 35.24 H new ATOM 0 HB3 ASN A 16 4.772 -14.046 -12.185 1.00 35.24 H new ATOM 0 HD21 ASN A 16 4.097 -13.377 -8.269 1.00 31.22 H new ATOM 0 HD22 ASN A 16 3.396 -12.438 -9.591 1.00 31.22 H new ATOM 268 N ASP A 17 6.808 -10.795 -10.269 1.00 63.14 N ATOM 269 CA ASP A 17 6.855 -9.510 -9.580 1.00 4.05 C ATOM 270 C ASP A 17 8.227 -8.861 -9.733 1.00 14.43 C ATOM 271 O ASP A 17 8.701 -8.167 -8.833 1.00 10.22 O ATOM 272 CB ASP A 17 6.525 -9.690 -8.097 1.00 62.44 C ATOM 273 CG ASP A 17 5.108 -10.183 -7.875 1.00 12.13 C ATOM 274 OD1 ASP A 17 4.370 -10.333 -8.870 1.00 64.23 O ATOM 275 OD2 ASP A 17 4.738 -10.417 -6.706 1.00 23.40 O1- ATOM 0 H ASP A 17 7.390 -11.520 -9.850 1.00 63.14 H new ATOM 0 HA ASP A 17 6.111 -8.855 -10.033 1.00 4.05 H new ATOM 0 HB2 ASP A 17 7.226 -10.398 -7.655 1.00 62.44 H new ATOM 0 HB3 ASP A 17 6.662 -8.740 -7.579 1.00 62.44 H new ATOM 280 N CYS A 18 8.861 -9.093 -10.877 1.00 22.14 N ATOM 281 CA CYS A 18 10.180 -8.533 -11.149 1.00 12.03 C ATOM 282 C CYS A 18 10.168 -7.015 -10.993 1.00 12.24 C ATOM 283 O CYS A 18 10.748 -6.473 -10.052 1.00 15.22 O ATOM 284 CB CYS A 18 10.635 -8.908 -12.560 1.00 65.22 C ATOM 285 SG CYS A 18 11.687 -10.394 -12.632 1.00 64.10 S ATOM 0 H CYS A 18 8.483 -9.665 -11.632 1.00 22.14 H new ATOM 0 HA CYS A 18 10.881 -8.950 -10.426 1.00 12.03 H new ATOM 0 HB2 CYS A 18 9.755 -9.068 -13.183 1.00 65.22 H new ATOM 0 HB3 CYS A 18 11.181 -8.068 -12.989 1.00 65.22 H new ATOM 290 N CYS A 19 9.506 -6.335 -11.922 1.00 52.34 N ATOM 291 CA CYS A 19 9.418 -4.881 -11.890 1.00 50.21 C ATOM 292 C CYS A 19 8.602 -4.358 -13.069 1.00 44.05 C ATOM 293 O CYS A 19 7.984 -5.132 -13.799 1.00 61.25 O ATOM 294 CB CYS A 19 10.817 -4.264 -11.909 1.00 45.44 C ATOM 295 SG CYS A 19 11.051 -2.909 -10.715 1.00 3.21 S ATOM 0 H CYS A 19 9.022 -6.769 -12.708 1.00 52.34 H new ATOM 0 HA CYS A 19 8.914 -4.593 -10.967 1.00 50.21 H new ATOM 0 HB2 CYS A 19 11.549 -5.045 -11.704 1.00 45.44 H new ATOM 0 HB3 CYS A 19 11.023 -3.890 -12.912 1.00 45.44 H new ATOM 300 N GLU A 20 8.608 -3.041 -13.248 1.00 0.41 N ATOM 301 CA GLU A 20 7.869 -2.415 -14.338 1.00 21.12 C ATOM 302 C GLU A 20 8.708 -2.377 -15.613 1.00 12.24 C ATOM 303 O GLU A 20 9.718 -1.679 -15.684 1.00 33.41 O ATOM 304 CB GLU A 20 7.447 -0.997 -13.950 1.00 34.22 C ATOM 305 CG GLU A 20 6.706 -0.259 -15.053 1.00 61.45 C ATOM 306 CD GLU A 20 5.710 0.748 -14.513 1.00 22.34 C ATOM 307 OE1 GLU A 20 6.137 1.860 -14.134 1.00 2.13 O1- ATOM 308 OE2 GLU A 20 4.505 0.426 -14.469 1.00 41.52 O ATOM 0 H GLU A 20 9.116 -2.387 -12.653 1.00 0.41 H new ATOM 0 HA GLU A 20 6.977 -3.012 -14.528 1.00 21.12 H new ATOM 0 HB2 GLU A 20 6.811 -1.045 -13.066 1.00 34.22 H new ATOM 0 HB3 GLU A 20 8.333 -0.426 -13.674 1.00 34.22 H new ATOM 0 HG2 GLU A 20 7.427 0.254 -15.690 1.00 61.45 H new ATOM 0 HG3 GLU A 20 6.183 -0.981 -15.681 1.00 61.45 H new ATOM 315 N GLY A 21 8.280 -3.136 -16.618 1.00 40.44 N ATOM 316 CA GLY A 21 9.003 -3.176 -17.876 1.00 52.55 C ATOM 317 C GLY A 21 10.191 -4.116 -17.833 1.00 53.30 C ATOM 318 O GLY A 21 11.219 -3.860 -18.462 1.00 0.22 O ATOM 0 H GLY A 21 7.447 -3.723 -16.583 1.00 40.44 H new ATOM 0 HA2 GLY A 21 8.326 -3.488 -18.671 1.00 52.55 H new ATOM 0 HA3 GLY A 21 9.347 -2.172 -18.126 1.00 52.55 H new ATOM 322 N LEU A 22 10.054 -5.206 -17.087 1.00 13.10 N ATOM 323 CA LEU A 22 11.126 -6.187 -16.962 1.00 41.51 C ATOM 324 C LEU A 22 10.605 -7.599 -17.213 1.00 64.04 C ATOM 325 O LEU A 22 9.400 -7.844 -17.156 1.00 31.15 O ATOM 326 CB LEU A 22 11.759 -6.106 -15.571 1.00 20.40 C ATOM 327 CG LEU A 22 12.517 -4.817 -15.253 1.00 3.03 C ATOM 328 CD1 LEU A 22 13.219 -4.928 -13.908 1.00 13.13 C ATOM 329 CD2 LEU A 22 13.519 -4.502 -16.356 1.00 73.44 C ATOM 0 H LEU A 22 9.211 -5.433 -16.559 1.00 13.10 H new ATOM 0 HA LEU A 22 11.882 -5.959 -17.713 1.00 41.51 H new ATOM 0 HB2 LEU A 22 10.972 -6.234 -14.828 1.00 20.40 H new ATOM 0 HB3 LEU A 22 12.445 -6.945 -15.457 1.00 20.40 H new ATOM 0 HG LEU A 22 11.798 -3.999 -15.198 1.00 3.03 H new ATOM 0 HD11 LEU A 22 13.753 -4.001 -13.699 1.00 13.13 H new ATOM 0 HD12 LEU A 22 12.481 -5.106 -13.126 1.00 13.13 H new ATOM 0 HD13 LEU A 22 13.927 -5.757 -13.934 1.00 13.13 H new ATOM 0 HD21 LEU A 22 14.050 -3.581 -16.113 1.00 73.44 H new ATOM 0 HD22 LEU A 22 14.234 -5.321 -16.443 1.00 73.44 H new ATOM 0 HD23 LEU A 22 12.992 -4.378 -17.302 1.00 73.44 H new ATOM 341 N GLU A 23 11.520 -8.522 -17.490 1.00 73.11 N ATOM 342 CA GLU A 23 11.152 -9.909 -17.750 1.00 72.50 C ATOM 343 C GLU A 23 12.203 -10.865 -17.192 1.00 73.15 C ATOM 344 O GLU A 23 13.387 -10.534 -17.129 1.00 53.25 O ATOM 345 CB GLU A 23 10.980 -10.142 -19.252 1.00 42.13 C ATOM 346 CG GLU A 23 9.531 -10.121 -19.710 1.00 54.44 C ATOM 347 CD GLU A 23 8.773 -11.369 -19.304 1.00 41.24 C ATOM 348 OE1 GLU A 23 9.361 -12.219 -18.602 1.00 33.22 O1- ATOM 349 OE2 GLU A 23 7.592 -11.498 -19.689 1.00 62.21 O ATOM 0 H GLU A 23 12.521 -8.335 -17.540 1.00 73.11 H new ATOM 0 HA GLU A 23 10.204 -10.106 -17.249 1.00 72.50 H new ATOM 0 HB2 GLU A 23 11.535 -9.377 -19.795 1.00 42.13 H new ATOM 0 HB3 GLU A 23 11.421 -11.103 -19.515 1.00 42.13 H new ATOM 0 HG2 GLU A 23 9.034 -9.246 -19.291 1.00 54.44 H new ATOM 0 HG3 GLU A 23 9.498 -10.017 -20.795 1.00 54.44 H new ATOM 356 N CYS A 24 11.760 -12.050 -16.789 1.00 3.15 N ATOM 357 CA CYS A 24 12.661 -13.055 -16.235 1.00 43.32 C ATOM 358 C CYS A 24 13.451 -13.746 -17.343 1.00 13.33 C ATOM 359 O CYS A 24 12.937 -14.631 -18.026 1.00 71.04 O ATOM 360 CB CYS A 24 11.872 -14.091 -15.433 1.00 63.05 C ATOM 361 SG CYS A 24 12.905 -15.160 -14.380 1.00 51.21 S ATOM 0 H CYS A 24 10.783 -12.339 -16.835 1.00 3.15 H new ATOM 0 HA CYS A 24 13.364 -12.551 -15.571 1.00 43.32 H new ATOM 0 HB2 CYS A 24 11.146 -13.573 -14.806 1.00 63.05 H new ATOM 0 HB3 CYS A 24 11.307 -14.717 -16.124 1.00 63.05 H new ATOM 366 N TYR A 25 14.703 -13.337 -17.513 1.00 42.15 N ATOM 367 CA TYR A 25 15.564 -13.914 -18.538 1.00 43.13 C ATOM 368 C TYR A 25 16.611 -14.833 -17.916 1.00 24.34 C ATOM 369 O TYR A 25 17.089 -14.589 -16.808 1.00 2.23 O ATOM 370 CB TYR A 25 16.250 -12.808 -19.340 1.00 24.23 C ATOM 371 CG TYR A 25 17.295 -13.320 -20.306 1.00 72.44 C ATOM 372 CD1 TYR A 25 16.948 -14.170 -21.350 1.00 1.13 C ATOM 373 CD2 TYR A 25 18.628 -12.953 -20.177 1.00 73.43 C ATOM 374 CE1 TYR A 25 17.898 -14.641 -22.235 1.00 40.22 C ATOM 375 CE2 TYR A 25 19.586 -13.418 -21.059 1.00 20.10 C ATOM 376 CZ TYR A 25 19.216 -14.261 -22.085 1.00 72.10 C ATOM 377 OH TYR A 25 20.166 -14.727 -22.965 1.00 42.01 O ATOM 0 H TYR A 25 15.145 -12.607 -16.954 1.00 42.15 H new ATOM 0 HA TYR A 25 14.941 -14.506 -19.209 1.00 43.13 H new ATOM 0 HB2 TYR A 25 15.495 -12.252 -19.896 1.00 24.23 H new ATOM 0 HB3 TYR A 25 16.718 -12.107 -18.649 1.00 24.23 H new ATOM 0 HD1 TYR A 25 15.917 -14.467 -21.471 1.00 1.13 H new ATOM 0 HD2 TYR A 25 18.922 -12.293 -19.374 1.00 73.43 H new ATOM 0 HE1 TYR A 25 17.611 -15.302 -23.039 1.00 40.22 H new ATOM 0 HE2 TYR A 25 20.618 -13.122 -20.945 1.00 20.10 H new ATOM 0 HH TYR A 25 21.043 -14.365 -22.721 1.00 42.01 H new ATOM 387 N LYS A 26 16.965 -15.891 -18.638 1.00 24.35 N ATOM 388 CA LYS A 26 17.957 -16.846 -18.160 1.00 34.53 C ATOM 389 C LYS A 26 19.351 -16.476 -18.657 1.00 64.11 C ATOM 390 O LYS A 26 19.517 -16.024 -19.790 1.00 12.35 O ATOM 391 CB LYS A 26 17.597 -18.260 -18.622 1.00 44.31 C ATOM 392 CG LYS A 26 16.240 -18.734 -18.132 1.00 35.50 C ATOM 393 CD LYS A 26 15.721 -19.894 -18.964 1.00 15.23 C ATOM 394 CE LYS A 26 14.250 -20.166 -18.683 1.00 24.30 C ATOM 395 NZ LYS A 26 13.865 -21.557 -19.051 1.00 45.14 N1+ ATOM 0 H LYS A 26 16.579 -16.108 -19.557 1.00 24.35 H new ATOM 0 HA LYS A 26 17.959 -16.816 -17.070 1.00 34.53 H new ATOM 0 HB2 LYS A 26 17.612 -18.292 -19.711 1.00 44.31 H new ATOM 0 HB3 LYS A 26 18.362 -18.953 -18.273 1.00 44.31 H new ATOM 0 HG2 LYS A 26 16.315 -19.039 -17.088 1.00 35.50 H new ATOM 0 HG3 LYS A 26 15.529 -17.909 -18.173 1.00 35.50 H new ATOM 0 HD2 LYS A 26 15.856 -19.673 -20.023 1.00 15.23 H new ATOM 0 HD3 LYS A 26 16.305 -20.788 -18.748 1.00 15.23 H new ATOM 0 HE2 LYS A 26 14.045 -20.000 -17.625 1.00 24.30 H new ATOM 0 HE3 LYS A 26 13.636 -19.459 -19.241 1.00 24.30 H new ATOM 0 HZ1 LYS A 26 12.856 -21.704 -18.845 1.00 45.14 H new ATOM 0 HZ2 LYS A 26 14.037 -21.708 -20.066 1.00 45.14 H new ATOM 0 HZ3 LYS A 26 14.433 -22.232 -18.500 1.00 45.14 H new ATOM 409 N ARG A 27 20.350 -16.674 -17.803 1.00 13.42 N ATOM 410 CA ARG A 27 21.730 -16.362 -18.156 1.00 2.22 C ATOM 411 C ARG A 27 22.457 -17.606 -18.659 1.00 13.11 C ATOM 412 O ARG A 27 21.876 -18.688 -18.735 1.00 42.10 O ATOM 413 CB ARG A 27 22.468 -15.778 -16.949 1.00 75.21 C ATOM 414 CG ARG A 27 22.269 -14.282 -16.779 1.00 55.10 C ATOM 415 CD ARG A 27 23.596 -13.561 -16.592 1.00 52.24 C ATOM 416 NE ARG A 27 23.606 -12.256 -17.245 1.00 31.33 N ATOM 417 CZ ARG A 27 24.447 -11.279 -16.923 1.00 45.33 C ATOM 418 NH1 ARG A 27 25.340 -11.459 -15.960 1.00 21.44 N1+ ATOM 419 NH2 ARG A 27 24.394 -10.118 -17.563 1.00 63.22 N ATOM 0 H ARG A 27 20.230 -17.049 -16.862 1.00 13.42 H new ATOM 0 HA ARG A 27 21.716 -15.623 -18.957 1.00 2.22 H new ATOM 0 HB2 ARG A 27 22.129 -16.286 -16.046 1.00 75.21 H new ATOM 0 HB3 ARG A 27 23.533 -15.985 -17.050 1.00 75.21 H new ATOM 0 HG2 ARG A 27 21.755 -13.881 -17.653 1.00 55.10 H new ATOM 0 HG3 ARG A 27 21.627 -14.095 -15.918 1.00 55.10 H new ATOM 0 HD2 ARG A 27 23.793 -13.435 -15.527 1.00 52.24 H new ATOM 0 HD3 ARG A 27 24.402 -14.174 -16.995 1.00 52.24 H new ATOM 0 HE ARG A 27 22.930 -12.084 -17.990 1.00 31.33 H new ATOM 0 HH11 ARG A 27 25.383 -12.349 -15.464 1.00 21.44 H new ATOM 0 HH12 ARG A 27 25.984 -10.707 -15.715 1.00 21.44 H new ATOM 0 HH21 ARG A 27 23.707 -9.975 -18.303 1.00 63.22 H new ATOM 0 HH22 ARG A 27 25.040 -9.369 -17.315 1.00 63.22 H new ATOM 433 N ARG A 28 23.731 -17.442 -19.001 1.00 43.11 N ATOM 434 CA ARG A 28 24.537 -18.550 -19.499 1.00 2.52 C ATOM 435 C ARG A 28 24.825 -19.554 -18.386 1.00 22.11 C ATOM 436 O ARG A 28 24.308 -20.671 -18.394 1.00 62.24 O ATOM 437 CB ARG A 28 25.851 -18.030 -20.085 1.00 42.41 C ATOM 438 CG ARG A 28 26.648 -19.090 -20.827 1.00 2.52 C ATOM 439 CD ARG A 28 25.843 -19.694 -21.968 1.00 0.40 C ATOM 440 NE ARG A 28 26.654 -20.577 -22.803 1.00 0.25 N ATOM 441 CZ ARG A 28 27.489 -20.139 -23.739 1.00 3.54 C ATOM 442 NH1 ARG A 28 27.622 -18.838 -23.959 1.00 52.00 N1+ ATOM 443 NH2 ARG A 28 28.193 -21.004 -24.458 1.00 73.13 N ATOM 0 H ARG A 28 24.227 -16.553 -18.942 1.00 43.11 H new ATOM 0 HA ARG A 28 23.973 -19.054 -20.283 1.00 2.52 H new ATOM 0 HB2 ARG A 28 25.635 -17.207 -20.766 1.00 42.41 H new ATOM 0 HB3 ARG A 28 26.463 -17.625 -19.279 1.00 42.41 H new ATOM 0 HG2 ARG A 28 27.564 -18.649 -21.220 1.00 2.52 H new ATOM 0 HG3 ARG A 28 26.944 -19.876 -20.133 1.00 2.52 H new ATOM 0 HD2 ARG A 28 25.000 -20.253 -21.561 1.00 0.40 H new ATOM 0 HD3 ARG A 28 25.428 -18.895 -22.582 1.00 0.40 H new ATOM 0 HE ARG A 28 26.575 -21.584 -22.660 1.00 0.25 H new ATOM 0 HH11 ARG A 28 27.082 -18.170 -23.409 1.00 52.00 H new ATOM 0 HH12 ARG A 28 28.264 -18.505 -24.678 1.00 52.00 H new ATOM 0 HH21 ARG A 28 28.093 -22.005 -24.292 1.00 73.13 H new ATOM 0 HH22 ARG A 28 28.834 -20.667 -25.177 1.00 73.13 H new ATOM 457 N HIS A 29 25.657 -19.149 -17.431 1.00 34.43 N ATOM 458 CA HIS A 29 26.014 -20.013 -16.312 1.00 5.34 C ATOM 459 C HIS A 29 25.768 -19.308 -14.982 1.00 60.13 C ATOM 460 O HIS A 29 26.418 -19.608 -13.979 1.00 45.11 O ATOM 461 CB HIS A 29 27.480 -20.436 -16.415 1.00 0.11 C ATOM 462 CG HIS A 29 27.747 -21.403 -17.526 1.00 24.13 C ATOM 463 ND1 HIS A 29 28.985 -21.546 -18.119 1.00 73.30 N ATOM 464 CD2 HIS A 29 26.928 -22.281 -18.152 1.00 14.44 C ATOM 465 CE1 HIS A 29 28.915 -22.468 -19.062 1.00 50.01 C ATOM 466 NE2 HIS A 29 27.678 -22.931 -19.102 1.00 1.05 N ATOM 0 H HIS A 29 26.096 -18.229 -17.410 1.00 34.43 H new ATOM 0 HA HIS A 29 25.383 -20.901 -16.354 1.00 5.34 H new ATOM 0 HB2 HIS A 29 28.096 -19.549 -16.561 1.00 0.11 H new ATOM 0 HB3 HIS A 29 27.787 -20.886 -15.471 1.00 0.11 H new ATOM 0 HD2 HIS A 29 25.880 -22.441 -17.943 1.00 14.44 H new ATOM 0 HE1 HIS A 29 29.730 -22.789 -19.693 1.00 50.01 H new ATOM 0 HE2 HIS A 29 27.336 -23.654 -19.735 1.00 1.05 H new ATOM 474 N SER A 30 24.827 -18.369 -14.979 1.00 51.21 N ATOM 475 CA SER A 30 24.499 -17.619 -13.773 1.00 2.20 C ATOM 476 C SER A 30 22.995 -17.639 -13.513 1.00 21.10 C ATOM 477 O SER A 30 22.199 -17.881 -14.421 1.00 1.23 O ATOM 478 CB SER A 30 24.987 -16.174 -13.897 1.00 61.21 C ATOM 479 OG SER A 30 26.339 -16.056 -13.488 1.00 2.24 O ATOM 0 H SER A 30 24.278 -18.110 -15.799 1.00 51.21 H new ATOM 0 HA SER A 30 25.002 -18.094 -12.931 1.00 2.20 H new ATOM 0 HB2 SER A 30 24.886 -15.840 -14.930 1.00 61.21 H new ATOM 0 HB3 SER A 30 24.361 -15.522 -13.288 1.00 61.21 H new ATOM 0 HG SER A 30 26.628 -15.124 -13.578 1.00 2.24 H new ATOM 485 N PHE A 31 22.613 -17.382 -12.267 1.00 74.44 N ATOM 486 CA PHE A 31 21.206 -17.371 -11.885 1.00 15.34 C ATOM 487 C PHE A 31 20.420 -16.376 -12.735 1.00 41.21 C ATOM 488 O PHE A 31 20.833 -15.230 -12.907 1.00 41.32 O ATOM 489 CB PHE A 31 21.060 -17.021 -10.403 1.00 25.20 C ATOM 490 CG PHE A 31 21.666 -15.696 -10.038 1.00 42.32 C ATOM 491 CD1 PHE A 31 20.914 -14.534 -10.100 1.00 32.25 C ATOM 492 CD2 PHE A 31 22.988 -15.613 -9.632 1.00 55.24 C ATOM 493 CE1 PHE A 31 21.469 -13.314 -9.764 1.00 32.13 C ATOM 494 CE2 PHE A 31 23.549 -14.395 -9.295 1.00 41.41 C ATOM 495 CZ PHE A 31 22.789 -13.244 -9.362 1.00 42.13 C ATOM 0 H PHE A 31 23.258 -17.178 -11.504 1.00 74.44 H new ATOM 0 HA PHE A 31 20.801 -18.368 -12.056 1.00 15.34 H new ATOM 0 HB2 PHE A 31 20.002 -17.012 -10.143 1.00 25.20 H new ATOM 0 HB3 PHE A 31 21.528 -17.803 -9.805 1.00 25.20 H new ATOM 0 HD1 PHE A 31 19.882 -14.582 -10.415 1.00 32.25 H new ATOM 0 HD2 PHE A 31 23.587 -16.510 -9.578 1.00 55.24 H new ATOM 0 HE1 PHE A 31 20.871 -12.416 -9.816 1.00 32.13 H new ATOM 0 HE2 PHE A 31 24.581 -14.344 -8.980 1.00 41.41 H new ATOM 0 HZ PHE A 31 23.225 -12.291 -9.101 1.00 42.13 H new ATOM 505 N GLU A 32 19.285 -16.824 -13.261 1.00 14.44 N ATOM 506 CA GLU A 32 18.442 -15.974 -14.093 1.00 22.14 C ATOM 507 C GLU A 32 17.986 -14.738 -13.323 1.00 51.44 C ATOM 508 O GLU A 32 17.674 -14.814 -12.135 1.00 63.24 O ATOM 509 CB GLU A 32 17.225 -16.755 -14.592 1.00 52.23 C ATOM 510 CG GLU A 32 16.414 -17.395 -13.476 1.00 22.11 C ATOM 511 CD GLU A 32 15.360 -18.354 -13.997 1.00 4.05 C ATOM 512 OE1 GLU A 32 15.732 -19.463 -14.434 1.00 42.42 O ATOM 513 OE2 GLU A 32 14.165 -17.994 -13.968 1.00 23.41 O1- ATOM 0 H GLU A 32 18.928 -17.770 -13.126 1.00 14.44 H new ATOM 0 HA GLU A 32 19.032 -15.650 -14.950 1.00 22.14 H new ATOM 0 HB2 GLU A 32 16.580 -16.084 -15.159 1.00 52.23 H new ATOM 0 HB3 GLU A 32 17.559 -17.532 -15.279 1.00 52.23 H new ATOM 0 HG2 GLU A 32 17.086 -17.929 -12.804 1.00 22.11 H new ATOM 0 HG3 GLU A 32 15.931 -16.614 -12.889 1.00 22.11 H new ATOM 520 N VAL A 33 17.952 -13.599 -14.008 1.00 62.34 N ATOM 521 CA VAL A 33 17.535 -12.347 -13.390 1.00 22.01 C ATOM 522 C VAL A 33 16.598 -11.567 -14.305 1.00 53.22 C ATOM 523 O VAL A 33 16.338 -11.975 -15.438 1.00 65.03 O ATOM 524 CB VAL A 33 18.747 -11.462 -13.040 1.00 32.31 C ATOM 525 CG1 VAL A 33 19.788 -12.263 -12.272 1.00 3.23 C ATOM 526 CG2 VAL A 33 19.349 -10.861 -14.301 1.00 64.44 C ATOM 0 H VAL A 33 18.209 -13.518 -14.992 1.00 62.34 H new ATOM 0 HA VAL A 33 17.008 -12.608 -12.472 1.00 22.01 H new ATOM 0 HB VAL A 33 18.408 -10.646 -12.402 1.00 32.31 H new ATOM 0 HG11 VAL A 33 20.637 -11.622 -12.033 1.00 3.23 H new ATOM 0 HG12 VAL A 33 19.348 -12.641 -11.349 1.00 3.23 H new ATOM 0 HG13 VAL A 33 20.126 -13.100 -12.883 1.00 3.23 H new ATOM 0 HG21 VAL A 33 20.204 -10.239 -14.035 1.00 64.44 H new ATOM 0 HG22 VAL A 33 19.675 -11.661 -14.966 1.00 64.44 H new ATOM 0 HG23 VAL A 33 18.600 -10.252 -14.807 1.00 64.44 H new ATOM 536 N CYS A 34 16.094 -10.443 -13.808 1.00 44.23 N ATOM 537 CA CYS A 34 15.185 -9.604 -14.580 1.00 2.34 C ATOM 538 C CYS A 34 15.944 -8.820 -15.646 1.00 74.42 C ATOM 539 O CYS A 34 17.091 -8.420 -15.442 1.00 63.45 O ATOM 540 CB CYS A 34 14.439 -8.640 -13.656 1.00 12.11 C ATOM 541 SG CYS A 34 13.538 -9.457 -12.300 1.00 33.54 S ATOM 0 H CYS A 34 16.300 -10.091 -12.873 1.00 44.23 H new ATOM 0 HA CYS A 34 14.463 -10.253 -15.076 1.00 2.34 H new ATOM 0 HB2 CYS A 34 15.154 -7.935 -13.230 1.00 12.11 H new ATOM 0 HB3 CYS A 34 13.733 -8.059 -14.249 1.00 12.11 H new ATOM 546 N VAL A 35 15.295 -8.600 -16.785 1.00 52.22 N ATOM 547 CA VAL A 35 15.906 -7.862 -17.884 1.00 73.22 C ATOM 548 C VAL A 35 14.910 -6.898 -18.520 1.00 34.14 C ATOM 549 O VAL A 35 13.698 -7.110 -18.488 1.00 74.20 O ATOM 550 CB VAL A 35 16.447 -8.814 -18.968 1.00 22.11 C ATOM 551 CG1 VAL A 35 17.600 -9.643 -18.424 1.00 55.34 C ATOM 552 CG2 VAL A 35 15.336 -9.711 -19.492 1.00 13.23 C ATOM 0 H VAL A 35 14.345 -8.923 -16.971 1.00 52.22 H new ATOM 0 HA VAL A 35 16.736 -7.296 -17.462 1.00 73.22 H new ATOM 0 HB VAL A 35 16.822 -8.215 -19.798 1.00 22.11 H new ATOM 0 HG11 VAL A 35 17.969 -10.309 -19.204 1.00 55.34 H new ATOM 0 HG12 VAL A 35 18.404 -8.981 -18.102 1.00 55.34 H new ATOM 0 HG13 VAL A 35 17.255 -10.234 -17.576 1.00 55.34 H new ATOM 0 HG21 VAL A 35 15.736 -10.377 -20.257 1.00 13.23 H new ATOM 0 HG22 VAL A 35 14.929 -10.303 -18.672 1.00 13.23 H new ATOM 0 HG23 VAL A 35 14.545 -9.097 -19.923 1.00 13.23 H new ATOM 562 N PRO A 36 15.432 -5.815 -19.113 1.00 14.42 N ATOM 563 CA PRO A 36 14.607 -4.797 -19.770 1.00 15.12 C ATOM 564 C PRO A 36 13.965 -5.311 -21.054 1.00 33.54 C ATOM 565 O PRO A 36 14.650 -5.821 -21.941 1.00 61.25 O ATOM 566 CB PRO A 36 15.604 -3.678 -20.082 1.00 24.35 C ATOM 567 CG PRO A 36 16.925 -4.361 -20.171 1.00 33.43 C ATOM 568 CD PRO A 36 16.869 -5.500 -19.190 1.00 44.32 C ATOM 0 HA PRO A 36 13.774 -4.481 -19.142 1.00 15.12 H new ATOM 0 HB2 PRO A 36 15.355 -3.175 -21.016 1.00 24.35 H new ATOM 0 HB3 PRO A 36 15.603 -2.918 -19.301 1.00 24.35 H new ATOM 0 HG2 PRO A 36 17.109 -4.725 -21.182 1.00 33.43 H new ATOM 0 HG3 PRO A 36 17.736 -3.675 -19.927 1.00 33.43 H new ATOM 0 HD2 PRO A 36 17.450 -6.356 -19.534 1.00 44.32 H new ATOM 0 HD3 PRO A 36 17.270 -5.213 -18.218 1.00 44.32 H new ATOM 576 N ILE A 37 12.646 -5.173 -21.147 1.00 43.04 N ATOM 577 CA ILE A 37 11.913 -5.622 -22.324 1.00 30.13 C ATOM 578 C ILE A 37 12.052 -4.627 -23.471 1.00 62.14 C ATOM 579 O ILE A 37 11.868 -3.421 -23.306 1.00 13.55 O ATOM 580 CB ILE A 37 10.419 -5.823 -22.012 1.00 53.44 C ATOM 581 CG1 ILE A 37 10.241 -6.870 -20.910 1.00 32.33 C ATOM 582 CG2 ILE A 37 9.667 -6.238 -23.269 1.00 52.54 C ATOM 583 CD1 ILE A 37 9.010 -6.649 -20.059 1.00 30.21 C ATOM 0 H ILE A 37 12.064 -4.754 -20.422 1.00 43.04 H new ATOM 0 HA ILE A 37 12.346 -6.577 -22.621 1.00 30.13 H new ATOM 0 HB ILE A 37 10.007 -4.878 -21.659 1.00 53.44 H new ATOM 0 HG12 ILE A 37 10.185 -7.859 -21.365 1.00 32.33 H new ATOM 0 HG13 ILE A 37 11.122 -6.864 -20.268 1.00 32.33 H new ATOM 0 HG21 ILE A 37 8.612 -6.376 -23.033 1.00 52.54 H new ATOM 0 HG22 ILE A 37 9.770 -5.462 -24.028 1.00 52.54 H new ATOM 0 HG23 ILE A 37 10.080 -7.173 -23.648 1.00 52.54 H new ATOM 0 HD11 ILE A 37 8.948 -7.428 -19.299 1.00 30.21 H new ATOM 0 HD12 ILE A 37 9.072 -5.674 -19.575 1.00 30.21 H new ATOM 0 HD13 ILE A 37 8.121 -6.685 -20.689 1.00 30.21 H new ATOM 595 N PRO A 38 12.382 -5.143 -24.664 1.00 44.01 N ATOM 596 CA PRO A 38 12.550 -4.318 -25.865 1.00 45.20 C ATOM 597 C PRO A 38 11.228 -3.748 -26.366 1.00 54.33 C ATOM 598 O PRO A 38 10.222 -4.453 -26.431 1.00 60.25 O ATOM 599 CB PRO A 38 13.135 -5.294 -26.888 1.00 73.53 C ATOM 600 CG PRO A 38 12.674 -6.637 -26.436 1.00 4.32 C ATOM 601 CD PRO A 38 12.616 -6.571 -24.934 1.00 74.43 C ATOM 0 HA PRO A 38 13.180 -3.449 -25.677 1.00 45.20 H new ATOM 0 HB2 PRO A 38 12.781 -5.072 -27.895 1.00 73.53 H new ATOM 0 HB3 PRO A 38 14.223 -5.237 -26.913 1.00 73.53 H new ATOM 0 HG2 PRO A 38 11.696 -6.875 -26.854 1.00 4.32 H new ATOM 0 HG3 PRO A 38 13.360 -7.417 -26.766 1.00 4.32 H new ATOM 0 HD2 PRO A 38 11.814 -7.192 -24.535 1.00 74.43 H new ATOM 0 HD3 PRO A 38 13.544 -6.919 -24.480 1.00 74.43 H new ATOM 609 N GLY A 39 11.237 -2.467 -26.721 1.00 4.32 N ATOM 610 CA GLY A 39 10.032 -1.824 -27.213 1.00 65.10 C ATOM 611 C GLY A 39 8.987 -1.644 -26.130 1.00 13.00 C ATOM 612 O GLY A 39 7.846 -1.278 -26.412 1.00 24.44 O ATOM 0 H GLY A 39 12.057 -1.863 -26.677 1.00 4.32 H new ATOM 0 HA2 GLY A 39 10.288 -0.851 -27.632 1.00 65.10 H new ATOM 0 HA3 GLY A 39 9.612 -2.419 -28.024 1.00 65.10 H new ATOM 616 N PHE A 40 9.376 -1.904 -24.886 1.00 1.42 N ATOM 617 CA PHE A 40 8.464 -1.771 -23.757 1.00 63.23 C ATOM 618 C PHE A 40 7.920 -0.348 -23.660 1.00 75.24 C ATOM 619 O PHE A 40 8.618 0.616 -23.973 1.00 4.41 O ATOM 620 CB PHE A 40 9.172 -2.149 -22.455 1.00 21.42 C ATOM 621 CG PHE A 40 8.492 -1.615 -21.225 1.00 11.33 C ATOM 622 CD1 PHE A 40 7.286 -2.146 -20.799 1.00 4.14 C ATOM 623 CD2 PHE A 40 9.061 -0.583 -20.497 1.00 44.51 C ATOM 624 CE1 PHE A 40 6.658 -1.655 -19.670 1.00 25.44 C ATOM 625 CE2 PHE A 40 8.438 -0.089 -19.366 1.00 1.00 C ATOM 626 CZ PHE A 40 7.235 -0.627 -18.951 1.00 62.30 C ATOM 0 H PHE A 40 10.317 -2.208 -24.635 1.00 1.42 H new ATOM 0 HA PHE A 40 7.627 -2.450 -23.917 1.00 63.23 H new ATOM 0 HB2 PHE A 40 9.231 -3.235 -22.385 1.00 21.42 H new ATOM 0 HB3 PHE A 40 10.196 -1.775 -22.486 1.00 21.42 H new ATOM 0 HD1 PHE A 40 6.831 -2.953 -21.355 1.00 4.14 H new ATOM 0 HD2 PHE A 40 10.002 -0.160 -20.816 1.00 44.51 H new ATOM 0 HE1 PHE A 40 5.716 -2.075 -19.350 1.00 25.44 H new ATOM 0 HE2 PHE A 40 8.891 0.717 -18.807 1.00 1.00 H new ATOM 0 HZ PHE A 40 6.747 -0.245 -18.067 1.00 62.30 H new ATOM 636 N CYS A 41 6.671 -0.226 -23.225 1.00 41.12 N ATOM 637 CA CYS A 41 6.032 1.077 -23.087 1.00 52.51 C ATOM 638 C CYS A 41 4.823 0.994 -22.161 1.00 43.12 C ATOM 639 O CYS A 41 4.576 -0.037 -21.534 1.00 21.44 O ATOM 640 CB CYS A 41 5.606 1.606 -24.458 1.00 65.44 C ATOM 641 SG CYS A 41 4.393 0.552 -25.316 1.00 51.34 S ATOM 0 H CYS A 41 6.080 -1.015 -22.962 1.00 41.12 H new ATOM 0 HA CYS A 41 6.755 1.765 -22.649 1.00 52.51 H new ATOM 0 HB2 CYS A 41 5.183 2.603 -24.336 1.00 65.44 H new ATOM 0 HB3 CYS A 41 6.490 1.710 -25.087 1.00 65.44 H new ATOM 646 N LEU A 42 4.071 2.087 -22.080 1.00 12.45 N ATOM 647 CA LEU A 42 2.886 2.139 -21.232 1.00 22.41 C ATOM 648 C LEU A 42 1.636 2.428 -22.059 1.00 51.03 C ATOM 649 O LEU A 42 1.725 2.776 -23.237 1.00 23.33 O ATOM 650 CB LEU A 42 3.054 3.209 -20.152 1.00 3.12 C ATOM 651 CG LEU A 42 4.421 3.261 -19.467 1.00 35.22 C ATOM 652 CD1 LEU A 42 4.538 4.509 -18.606 1.00 14.43 C ATOM 653 CD2 LEU A 42 4.647 2.010 -18.631 1.00 64.35 C ATOM 0 H LEU A 42 4.261 2.949 -22.592 1.00 12.45 H new ATOM 0 HA LEU A 42 2.768 1.166 -20.756 1.00 22.41 H new ATOM 0 HB2 LEU A 42 2.857 4.183 -20.600 1.00 3.12 H new ATOM 0 HB3 LEU A 42 2.293 3.049 -19.388 1.00 3.12 H new ATOM 0 HG LEU A 42 5.191 3.302 -20.237 1.00 35.22 H new ATOM 0 HD11 LEU A 42 5.517 4.530 -18.126 1.00 14.43 H new ATOM 0 HD12 LEU A 42 4.421 5.394 -19.231 1.00 14.43 H new ATOM 0 HD13 LEU A 42 3.760 4.499 -17.843 1.00 14.43 H new ATOM 0 HD21 LEU A 42 5.624 2.065 -18.151 1.00 64.35 H new ATOM 0 HD22 LEU A 42 3.872 1.937 -17.868 1.00 64.35 H new ATOM 0 HD23 LEU A 42 4.607 1.131 -19.274 1.00 64.35 H new ATOM 665 N VAL A 43 0.472 2.282 -21.434 1.00 43.30 N ATOM 666 CA VAL A 43 -0.796 2.530 -22.109 1.00 31.01 C ATOM 667 C VAL A 43 -1.481 3.773 -21.552 1.00 54.02 C ATOM 668 O VAL A 43 -0.931 4.471 -20.700 1.00 1.44 O ATOM 669 CB VAL A 43 -1.748 1.328 -21.976 1.00 21.11 C ATOM 670 CG1 VAL A 43 -1.209 0.133 -22.748 1.00 24.03 C ATOM 671 CG2 VAL A 43 -1.959 0.976 -20.512 1.00 2.01 C ATOM 0 H VAL A 43 0.381 1.993 -20.460 1.00 43.30 H new ATOM 0 HA VAL A 43 -0.568 2.687 -23.163 1.00 31.01 H new ATOM 0 HB VAL A 43 -2.713 1.601 -22.403 1.00 21.11 H new ATOM 0 HG11 VAL A 43 -1.895 -0.708 -22.643 1.00 24.03 H new ATOM 0 HG12 VAL A 43 -1.114 0.394 -23.802 1.00 24.03 H new ATOM 0 HG13 VAL A 43 -0.232 -0.145 -22.353 1.00 24.03 H new ATOM 0 HG21 VAL A 43 -2.635 0.124 -20.436 1.00 2.01 H new ATOM 0 HG22 VAL A 43 -1.002 0.721 -20.057 1.00 2.01 H new ATOM 0 HG23 VAL A 43 -2.392 1.830 -19.991 1.00 2.01 H new ATOM 681 N LYS A 44 -2.689 4.044 -22.037 1.00 2.34 N ATOM 682 CA LYS A 44 -3.453 5.200 -21.588 1.00 53.21 C ATOM 683 C LYS A 44 -4.177 4.899 -20.279 1.00 52.14 C ATOM 684 O LYS A 44 -4.927 5.730 -19.768 1.00 22.22 O ATOM 685 CB LYS A 44 -4.465 5.617 -22.657 1.00 61.32 C ATOM 686 CG LYS A 44 -5.527 4.567 -22.932 1.00 71.24 C ATOM 687 CD LYS A 44 -5.327 3.912 -24.288 1.00 71.12 C ATOM 688 CE LYS A 44 -6.593 3.215 -24.763 1.00 11.52 C ATOM 689 NZ LYS A 44 -6.359 2.423 -26.002 1.00 43.31 N1+ ATOM 0 H LYS A 44 -3.159 3.477 -22.742 1.00 2.34 H new ATOM 0 HA LYS A 44 -2.755 6.020 -21.418 1.00 53.21 H new ATOM 0 HB2 LYS A 44 -4.952 6.541 -22.344 1.00 61.32 H new ATOM 0 HB3 LYS A 44 -3.933 5.835 -23.583 1.00 61.32 H new ATOM 0 HG2 LYS A 44 -5.498 3.806 -22.152 1.00 71.24 H new ATOM 0 HG3 LYS A 44 -6.514 5.028 -22.892 1.00 71.24 H new ATOM 0 HD2 LYS A 44 -5.030 4.666 -25.017 1.00 71.12 H new ATOM 0 HD3 LYS A 44 -4.513 3.189 -24.228 1.00 71.12 H new ATOM 0 HE2 LYS A 44 -6.962 2.557 -23.976 1.00 11.52 H new ATOM 0 HE3 LYS A 44 -7.369 3.958 -24.948 1.00 11.52 H new ATOM 0 HZ1 LYS A 44 -7.246 1.964 -26.293 1.00 43.31 H new ATOM 0 HZ2 LYS A 44 -6.031 3.054 -26.761 1.00 43.31 H new ATOM 0 HZ3 LYS A 44 -5.637 1.697 -25.819 1.00 43.31 H new ATOM 703 N TRP A 45 -3.946 3.706 -19.742 1.00 61.52 N ATOM 704 CA TRP A 45 -4.575 3.296 -18.491 1.00 74.50 C ATOM 705 C TRP A 45 -3.526 2.889 -17.463 1.00 42.02 C ATOM 706 O TRP A 45 -3.828 2.183 -16.499 1.00 73.52 O ATOM 707 CB TRP A 45 -5.542 2.137 -18.740 1.00 42.20 C ATOM 708 CG TRP A 45 -6.674 2.493 -19.656 1.00 43.15 C ATOM 709 CD1 TRP A 45 -6.887 2.017 -20.918 1.00 21.34 C ATOM 710 CD2 TRP A 45 -7.745 3.403 -19.380 1.00 53.41 C ATOM 711 NE1 TRP A 45 -8.027 2.577 -21.444 1.00 41.43 N ATOM 712 CE2 TRP A 45 -8.572 3.429 -20.521 1.00 25.41 C ATOM 713 CE3 TRP A 45 -8.087 4.196 -18.282 1.00 1.32 C ATOM 714 CZ2 TRP A 45 -9.717 4.218 -20.590 1.00 64.03 C ATOM 715 CZ3 TRP A 45 -9.224 4.978 -18.353 1.00 34.23 C ATOM 716 CH2 TRP A 45 -10.028 4.984 -19.501 1.00 24.53 C ATOM 0 H TRP A 45 -3.328 3.006 -20.153 1.00 61.52 H new ATOM 0 HA TRP A 45 -5.132 4.146 -18.096 1.00 74.50 H new ATOM 0 HB2 TRP A 45 -4.991 1.298 -19.165 1.00 42.20 H new ATOM 0 HB3 TRP A 45 -5.948 1.801 -17.786 1.00 42.20 H new ATOM 0 HD1 TRP A 45 -6.254 1.306 -21.427 1.00 21.34 H new ATOM 0 HE1 TRP A 45 -8.406 2.388 -22.372 1.00 41.43 H new ATOM 0 HE3 TRP A 45 -7.473 4.198 -17.393 1.00 1.32 H new ATOM 0 HZ2 TRP A 45 -10.338 4.225 -21.473 1.00 64.03 H new ATOM 0 HZ3 TRP A 45 -9.498 5.595 -17.510 1.00 34.23 H new ATOM 0 HH2 TRP A 45 -10.911 5.606 -19.526 1.00 24.53 H new ATOM 727 N LYS A 46 -2.294 3.336 -17.671 1.00 42.21 N ATOM 728 CA LYS A 46 -1.199 3.019 -16.760 1.00 51.21 C ATOM 729 C LYS A 46 -0.624 4.288 -16.139 1.00 0.41 C ATOM 730 O LYS A 46 -0.638 5.353 -16.756 1.00 73.52 O ATOM 731 CB LYS A 46 -0.098 2.257 -17.500 1.00 62.45 C ATOM 732 CG LYS A 46 -0.402 0.781 -17.689 1.00 61.44 C ATOM 733 CD LYS A 46 0.404 -0.081 -16.732 1.00 44.12 C ATOM 734 CE LYS A 46 0.871 -1.366 -17.397 1.00 21.31 C ATOM 735 NZ LYS A 46 0.867 -2.516 -16.449 1.00 41.31 N1+ ATOM 0 H LYS A 46 -2.027 3.920 -18.463 1.00 42.21 H new ATOM 0 HA LYS A 46 -1.594 2.391 -15.961 1.00 51.21 H new ATOM 0 HB2 LYS A 46 0.056 2.716 -18.477 1.00 62.45 H new ATOM 0 HB3 LYS A 46 0.837 2.359 -16.949 1.00 62.45 H new ATOM 0 HG2 LYS A 46 -1.466 0.605 -17.531 1.00 61.44 H new ATOM 0 HG3 LYS A 46 -0.180 0.491 -18.716 1.00 61.44 H new ATOM 0 HD2 LYS A 46 1.268 0.480 -16.375 1.00 44.12 H new ATOM 0 HD3 LYS A 46 -0.202 -0.322 -15.859 1.00 44.12 H new ATOM 0 HE2 LYS A 46 0.224 -1.592 -18.245 1.00 21.31 H new ATOM 0 HE3 LYS A 46 1.877 -1.225 -17.793 1.00 21.31 H new ATOM 0 HZ1 LYS A 46 1.192 -3.373 -16.941 1.00 41.31 H new ATOM 0 HZ2 LYS A 46 1.504 -2.312 -15.653 1.00 41.31 H new ATOM 0 HZ3 LYS A 46 -0.098 -2.667 -16.091 1.00 41.31 H new ATOM 749 N GLN A 47 -0.120 4.166 -14.915 1.00 64.53 N ATOM 750 CA GLN A 47 0.460 5.303 -14.212 1.00 74.13 C ATOM 751 C GLN A 47 1.573 5.944 -15.036 1.00 13.14 C ATOM 752 O GLN A 47 2.350 5.252 -15.691 1.00 23.10 O ATOM 753 CB GLN A 47 1.005 4.865 -12.851 1.00 24.11 C ATOM 754 CG GLN A 47 0.097 5.226 -11.687 1.00 62.21 C ATOM 755 CD GLN A 47 0.327 4.346 -10.473 1.00 72.54 C ATOM 756 OE1 GLN A 47 1.440 3.875 -10.235 1.00 23.43 O ATOM 757 NE2 GLN A 47 -0.727 4.119 -9.698 1.00 45.00 N ATOM 0 H GLN A 47 -0.102 3.291 -14.390 1.00 64.53 H new ATOM 0 HA GLN A 47 -0.326 6.042 -14.060 1.00 74.13 H new ATOM 0 HB2 GLN A 47 1.158 3.786 -12.860 1.00 24.11 H new ATOM 0 HB3 GLN A 47 1.981 5.324 -12.695 1.00 24.11 H new ATOM 0 HG2 GLN A 47 0.261 6.268 -11.412 1.00 62.21 H new ATOM 0 HG3 GLN A 47 -0.943 5.140 -12.002 1.00 62.21 H new ATOM 0 HE21 GLN A 47 -1.631 4.530 -9.933 1.00 45.00 H new ATOM 0 HE22 GLN A 47 -0.633 3.534 -8.868 1.00 45.00 H new ATOM 766 N CYS A 48 1.641 7.270 -14.998 1.00 31.24 N ATOM 767 CA CYS A 48 2.656 8.006 -15.741 1.00 22.31 C ATOM 768 C CYS A 48 3.749 8.518 -14.808 1.00 55.30 C ATOM 769 O CYS A 48 4.863 8.812 -15.242 1.00 50.32 O ATOM 770 CB CYS A 48 2.021 9.178 -16.492 1.00 73.10 C ATOM 771 SG CYS A 48 1.736 10.652 -15.462 1.00 25.31 S ATOM 0 H CYS A 48 1.004 7.858 -14.460 1.00 31.24 H new ATOM 0 HA CYS A 48 3.107 7.324 -16.462 1.00 22.31 H new ATOM 0 HB2 CYS A 48 2.664 9.451 -17.329 1.00 73.10 H new ATOM 0 HB3 CYS A 48 1.070 8.853 -16.914 1.00 73.10 H new ATOM 776 N ASP A 49 3.424 8.621 -13.524 1.00 45.13 N ATOM 777 CA ASP A 49 4.377 9.096 -12.529 1.00 34.44 C ATOM 778 C ASP A 49 5.695 8.336 -12.633 1.00 31.03 C ATOM 779 O ASP A 49 5.742 7.123 -12.434 1.00 25.13 O ATOM 780 CB ASP A 49 3.796 8.945 -11.122 1.00 20.02 C ATOM 781 CG ASP A 49 4.450 9.877 -10.122 1.00 23.14 C ATOM 782 OD1 ASP A 49 4.992 10.918 -10.549 1.00 10.54 O1- ATOM 783 OD2 ASP A 49 4.422 9.566 -8.913 1.00 41.44 O ATOM 0 H ASP A 49 2.507 8.381 -13.148 1.00 45.13 H new ATOM 0 HA ASP A 49 4.571 10.151 -12.722 1.00 34.44 H new ATOM 0 HB2 ASP A 49 2.725 9.143 -11.152 1.00 20.02 H new ATOM 0 HB3 ASP A 49 3.921 7.915 -10.789 1.00 20.02 H new ATOM 788 N GLY A 50 6.766 9.058 -12.947 1.00 64.44 N ATOM 789 CA GLY A 50 8.071 8.435 -13.074 1.00 42.12 C ATOM 790 C GLY A 50 8.350 7.955 -14.484 1.00 40.31 C ATOM 791 O GLY A 50 9.497 7.956 -14.932 1.00 15.21 O ATOM 0 H GLY A 50 6.753 10.064 -13.116 1.00 64.44 H new ATOM 0 HA2 GLY A 50 8.841 9.148 -12.777 1.00 42.12 H new ATOM 0 HA3 GLY A 50 8.136 7.591 -12.387 1.00 42.12 H new ATOM 795 N ARG A 51 7.299 7.542 -15.185 1.00 1.11 N ATOM 796 CA ARG A 51 7.437 7.054 -16.553 1.00 3.05 C ATOM 797 C ARG A 51 6.782 8.014 -17.541 1.00 2.25 C ATOM 798 O ARG A 51 6.131 7.589 -18.496 1.00 3.34 O ATOM 799 CB ARG A 51 6.814 5.664 -16.686 1.00 51.11 C ATOM 800 CG ARG A 51 7.428 4.629 -15.758 1.00 20.31 C ATOM 801 CD ARG A 51 8.911 4.442 -16.036 1.00 11.03 C ATOM 802 NE ARG A 51 9.224 3.076 -16.449 1.00 71.21 N ATOM 803 CZ ARG A 51 10.441 2.549 -16.383 1.00 71.51 C ATOM 804 NH1 ARG A 51 11.455 3.269 -15.923 1.00 5.32 N1+ ATOM 805 NH2 ARG A 51 10.646 1.299 -16.776 1.00 71.12 N ATOM 0 H ARG A 51 6.343 7.535 -14.829 1.00 1.11 H new ATOM 0 HA ARG A 51 8.500 6.991 -16.785 1.00 3.05 H new ATOM 0 HB2 ARG A 51 5.745 5.733 -16.482 1.00 51.11 H new ATOM 0 HB3 ARG A 51 6.921 5.324 -17.716 1.00 51.11 H new ATOM 0 HG2 ARG A 51 7.287 4.938 -14.722 1.00 20.31 H new ATOM 0 HG3 ARG A 51 6.911 3.677 -15.880 1.00 20.31 H new ATOM 0 HD2 ARG A 51 9.224 5.137 -16.815 1.00 11.03 H new ATOM 0 HD3 ARG A 51 9.481 4.689 -15.141 1.00 11.03 H new ATOM 0 HE ARG A 51 8.466 2.495 -16.808 1.00 71.21 H new ATOM 0 HH11 ARG A 51 11.301 4.230 -15.619 1.00 5.32 H new ATOM 0 HH12 ARG A 51 12.389 2.862 -15.873 1.00 5.32 H new ATOM 0 HH21 ARG A 51 9.868 0.741 -17.129 1.00 71.12 H new ATOM 0 HH22 ARG A 51 11.581 0.895 -16.725 1.00 71.12 H new ATOM 819 N GLU A 52 6.959 9.311 -17.306 1.00 24.42 N ATOM 820 CA GLU A 52 6.383 10.330 -18.175 1.00 31.15 C ATOM 821 C GLU A 52 7.010 10.277 -19.565 1.00 45.14 C ATOM 822 O GLU A 52 6.477 10.840 -20.520 1.00 54.45 O ATOM 823 CB GLU A 52 6.581 11.720 -17.566 1.00 70.10 C ATOM 824 CG GLU A 52 8.035 12.152 -17.493 1.00 13.21 C ATOM 825 CD GLU A 52 8.299 13.127 -16.362 1.00 41.43 C ATOM 826 OE1 GLU A 52 7.741 14.245 -16.401 1.00 61.42 O ATOM 827 OE2 GLU A 52 9.061 12.774 -15.439 1.00 51.44 O1- ATOM 0 H GLU A 52 7.496 9.680 -16.522 1.00 24.42 H new ATOM 0 HA GLU A 52 5.316 10.131 -18.270 1.00 31.15 H new ATOM 0 HB2 GLU A 52 6.024 12.448 -18.155 1.00 70.10 H new ATOM 0 HB3 GLU A 52 6.157 11.731 -16.562 1.00 70.10 H new ATOM 0 HG2 GLU A 52 8.665 11.272 -17.363 1.00 13.21 H new ATOM 0 HG3 GLU A 52 8.321 12.613 -18.439 1.00 13.21 H new ATOM 834 N ARG A 53 8.147 9.596 -19.669 1.00 4.13 N ATOM 835 CA ARG A 53 8.848 9.470 -20.941 1.00 53.25 C ATOM 836 C ARG A 53 9.073 8.003 -21.295 1.00 61.40 C ATOM 837 O ARG A 53 10.004 7.666 -22.027 1.00 72.20 O ATOM 838 CB ARG A 53 10.191 10.203 -20.882 1.00 72.43 C ATOM 839 CG ARG A 53 10.068 11.669 -20.502 1.00 65.33 C ATOM 840 CD ARG A 53 11.363 12.423 -20.763 1.00 3.24 C ATOM 841 NE ARG A 53 11.256 13.834 -20.408 1.00 34.41 N ATOM 842 CZ ARG A 53 11.196 14.275 -19.156 1.00 52.53 C ATOM 843 NH1 ARG A 53 11.235 13.418 -18.145 1.00 75.13 N1+ ATOM 844 NH2 ARG A 53 11.100 15.577 -18.913 1.00 14.35 N ATOM 0 H ARG A 53 8.602 9.123 -18.888 1.00 4.13 H new ATOM 0 HA ARG A 53 8.228 9.922 -21.715 1.00 53.25 H new ATOM 0 HB2 ARG A 53 10.837 9.702 -20.161 1.00 72.43 H new ATOM 0 HB3 ARG A 53 10.679 10.128 -21.854 1.00 72.43 H new ATOM 0 HG2 ARG A 53 9.258 12.127 -21.071 1.00 65.33 H new ATOM 0 HG3 ARG A 53 9.804 11.752 -19.448 1.00 65.33 H new ATOM 0 HD2 ARG A 53 12.170 11.966 -20.191 1.00 3.24 H new ATOM 0 HD3 ARG A 53 11.628 12.333 -21.816 1.00 3.24 H new ATOM 0 HE ARG A 53 11.226 14.520 -21.162 1.00 34.41 H new ATOM 0 HH11 ARG A 53 11.311 12.417 -18.327 1.00 75.13 H new ATOM 0 HH12 ARG A 53 11.189 13.759 -17.185 1.00 75.13 H new ATOM 0 HH21 ARG A 53 11.072 16.240 -19.688 1.00 14.35 H new ATOM 0 HH22 ARG A 53 11.054 15.914 -17.951 1.00 14.35 H new ATOM 858 N ASP A 54 8.214 7.135 -20.772 1.00 54.44 N ATOM 859 CA ASP A 54 8.316 5.704 -21.034 1.00 31.21 C ATOM 860 C ASP A 54 7.083 5.197 -21.772 1.00 61.13 C ATOM 861 O ASP A 54 7.125 4.158 -22.431 1.00 60.01 O ATOM 862 CB ASP A 54 8.494 4.937 -19.723 1.00 61.24 C ATOM 863 CG ASP A 54 9.512 3.820 -19.840 1.00 62.32 C ATOM 864 OD1 ASP A 54 9.253 2.856 -20.592 1.00 42.43 O1- ATOM 865 OD2 ASP A 54 10.569 3.909 -19.181 1.00 42.13 O ATOM 0 H ASP A 54 7.439 7.398 -20.164 1.00 54.44 H new ATOM 0 HA ASP A 54 9.188 5.536 -21.666 1.00 31.21 H new ATOM 0 HB2 ASP A 54 8.806 5.628 -18.940 1.00 61.24 H new ATOM 0 HB3 ASP A 54 7.535 4.520 -19.416 1.00 61.24 H new ATOM 870 N CYS A 55 5.985 5.936 -21.656 1.00 51.44 N ATOM 871 CA CYS A 55 4.737 5.561 -22.311 1.00 52.31 C ATOM 872 C CYS A 55 4.965 5.277 -23.793 1.00 63.35 C ATOM 873 O CYS A 55 6.031 5.568 -24.336 1.00 61.14 O ATOM 874 CB CYS A 55 3.697 6.671 -22.148 1.00 15.01 C ATOM 875 SG CYS A 55 3.379 7.143 -20.417 1.00 50.34 S ATOM 0 H CYS A 55 5.934 6.799 -21.114 1.00 51.44 H new ATOM 0 HA CYS A 55 4.366 4.652 -21.837 1.00 52.31 H new ATOM 0 HB2 CYS A 55 4.031 7.551 -22.698 1.00 15.01 H new ATOM 0 HB3 CYS A 55 2.761 6.347 -22.603 1.00 15.01 H new ATOM 880 N CYS A 56 3.956 4.705 -24.442 1.00 32.14 N ATOM 881 CA CYS A 56 4.044 4.380 -25.861 1.00 3.14 C ATOM 882 C CYS A 56 4.122 5.649 -26.705 1.00 52.12 C ATOM 883 O CYS A 56 4.135 6.760 -26.176 1.00 1.22 O ATOM 884 CB CYS A 56 2.838 3.542 -26.289 1.00 72.45 C ATOM 885 SG CYS A 56 2.979 1.773 -25.881 1.00 3.31 S ATOM 0 H CYS A 56 3.067 4.457 -24.007 1.00 32.14 H new ATOM 0 HA CYS A 56 4.954 3.802 -26.021 1.00 3.14 H new ATOM 0 HB2 CYS A 56 1.943 3.943 -25.813 1.00 72.45 H new ATOM 0 HB3 CYS A 56 2.701 3.646 -27.365 1.00 72.45 H new ATOM 890 N ALA A 57 4.174 5.474 -28.021 1.00 24.11 N ATOM 891 CA ALA A 57 4.249 6.604 -28.939 1.00 42.23 C ATOM 892 C ALA A 57 2.899 7.300 -29.064 1.00 72.42 C ATOM 893 O ALA A 57 1.916 6.699 -29.497 1.00 32.44 O ATOM 894 CB ALA A 57 4.735 6.143 -30.306 1.00 3.21 C ATOM 0 H ALA A 57 4.166 4.561 -28.475 1.00 24.11 H new ATOM 0 HA ALA A 57 4.963 7.322 -28.534 1.00 42.23 H new ATOM 0 HB1 ALA A 57 4.786 6.997 -30.981 1.00 3.21 H new ATOM 0 HB2 ALA A 57 5.725 5.697 -30.209 1.00 3.21 H new ATOM 0 HB3 ALA A 57 4.042 5.404 -30.708 1.00 3.21 H new ATOM 900 N GLY A 58 2.856 8.573 -28.679 1.00 45.51 N ATOM 901 CA GLY A 58 1.620 9.330 -28.755 1.00 33.35 C ATOM 902 C GLY A 58 1.019 9.597 -27.390 1.00 32.21 C ATOM 903 O GLY A 58 0.190 10.493 -27.232 1.00 4.20 O ATOM 0 H GLY A 58 3.655 9.093 -28.316 1.00 45.51 H new ATOM 0 HA2 GLY A 58 1.809 10.279 -29.257 1.00 33.35 H new ATOM 0 HA3 GLY A 58 0.900 8.784 -29.365 1.00 33.35 H new ATOM 907 N LEU A 59 1.437 8.816 -26.399 1.00 62.12 N ATOM 908 CA LEU A 59 0.933 8.972 -25.038 1.00 12.44 C ATOM 909 C LEU A 59 1.651 10.109 -24.319 1.00 51.41 C ATOM 910 O LEU A 59 2.616 10.672 -24.836 1.00 13.31 O ATOM 911 CB LEU A 59 1.107 7.668 -24.257 1.00 0.22 C ATOM 912 CG LEU A 59 0.065 6.581 -24.526 1.00 50.25 C ATOM 913 CD1 LEU A 59 0.379 5.330 -23.722 1.00 1.55 C ATOM 914 CD2 LEU A 59 -1.332 7.089 -24.202 1.00 50.20 C ATOM 0 H LEU A 59 2.123 8.069 -26.512 1.00 62.12 H new ATOM 0 HA LEU A 59 -0.128 9.216 -25.095 1.00 12.44 H new ATOM 0 HB2 LEU A 59 2.093 7.262 -24.482 1.00 0.22 H new ATOM 0 HB3 LEU A 59 1.094 7.901 -23.192 1.00 0.22 H new ATOM 0 HG LEU A 59 0.100 6.325 -25.585 1.00 50.25 H new ATOM 0 HD11 LEU A 59 -0.373 4.568 -23.926 1.00 1.55 H new ATOM 0 HD12 LEU A 59 1.363 4.954 -24.003 1.00 1.55 H new ATOM 0 HD13 LEU A 59 0.373 5.570 -22.659 1.00 1.55 H new ATOM 0 HD21 LEU A 59 -2.060 6.302 -24.399 1.00 50.20 H new ATOM 0 HD22 LEU A 59 -1.381 7.373 -23.151 1.00 50.20 H new ATOM 0 HD23 LEU A 59 -1.557 7.956 -24.823 1.00 50.20 H new ATOM 926 N GLU A 60 1.176 10.438 -23.122 1.00 13.01 N ATOM 927 CA GLU A 60 1.774 11.507 -22.330 1.00 5.33 C ATOM 928 C GLU A 60 1.423 11.352 -20.853 1.00 35.33 C ATOM 929 O GLU A 60 0.538 10.576 -20.492 1.00 50.25 O ATOM 930 CB GLU A 60 1.305 12.872 -22.837 1.00 50.33 C ATOM 931 CG GLU A 60 -0.136 13.192 -22.476 1.00 41.10 C ATOM 932 CD GLU A 60 -0.804 14.098 -23.491 1.00 3.12 C ATOM 933 OE1 GLU A 60 -0.196 15.125 -23.861 1.00 52.34 O ATOM 934 OE2 GLU A 60 -1.934 13.781 -23.916 1.00 2.21 O1- ATOM 0 H GLU A 60 0.379 9.980 -22.679 1.00 13.01 H new ATOM 0 HA GLU A 60 2.857 11.441 -22.437 1.00 5.33 H new ATOM 0 HB2 GLU A 60 1.954 13.645 -22.427 1.00 50.33 H new ATOM 0 HB3 GLU A 60 1.415 12.905 -23.921 1.00 50.33 H new ATOM 0 HG2 GLU A 60 -0.701 12.264 -22.396 1.00 41.10 H new ATOM 0 HG3 GLU A 60 -0.164 13.668 -21.496 1.00 41.10 H new ATOM 941 N CYS A 61 2.123 12.096 -20.003 1.00 32.21 N ATOM 942 CA CYS A 61 1.888 12.043 -18.565 1.00 32.23 C ATOM 943 C CYS A 61 0.637 12.832 -18.189 1.00 41.14 C ATOM 944 O CYS A 61 0.697 14.042 -17.973 1.00 25.31 O ATOM 945 CB CYS A 61 3.099 12.592 -17.808 1.00 74.11 C ATOM 946 SG CYS A 61 3.206 12.038 -16.076 1.00 3.45 S ATOM 0 H CYS A 61 2.859 12.744 -20.286 1.00 32.21 H new ATOM 0 HA CYS A 61 1.736 11.001 -18.285 1.00 32.23 H new ATOM 0 HB2 CYS A 61 4.007 12.293 -18.331 1.00 74.11 H new ATOM 0 HB3 CYS A 61 3.064 13.681 -17.828 1.00 74.11 H new ATOM 951 N TRP A 62 -0.493 12.138 -18.113 1.00 31.21 N ATOM 952 CA TRP A 62 -1.758 12.775 -17.763 1.00 62.54 C ATOM 953 C TRP A 62 -1.876 12.956 -16.253 1.00 11.34 C ATOM 954 O TRP A 62 -1.719 12.003 -15.489 1.00 63.25 O ATOM 955 CB TRP A 62 -2.931 11.943 -18.282 1.00 22.53 C ATOM 956 CG TRP A 62 -4.185 12.741 -18.475 1.00 0.54 C ATOM 957 CD1 TRP A 62 -4.314 14.097 -18.391 1.00 53.01 C ATOM 958 CD2 TRP A 62 -5.487 12.230 -18.784 1.00 52.14 C ATOM 959 NE1 TRP A 62 -5.618 14.461 -18.627 1.00 22.43 N ATOM 960 CE2 TRP A 62 -6.357 13.335 -18.872 1.00 12.12 C ATOM 961 CE3 TRP A 62 -6.002 10.949 -18.995 1.00 70.44 C ATOM 962 CZ2 TRP A 62 -7.711 13.193 -19.161 1.00 63.23 C ATOM 963 CZ3 TRP A 62 -7.346 10.810 -19.282 1.00 22.24 C ATOM 964 CH2 TRP A 62 -8.189 11.926 -19.364 1.00 43.24 C ATOM 0 H TRP A 62 -0.559 11.135 -18.289 1.00 31.21 H new ATOM 0 HA TRP A 62 -1.784 13.759 -18.232 1.00 62.54 H new ATOM 0 HB2 TRP A 62 -2.651 11.485 -19.230 1.00 22.53 H new ATOM 0 HB3 TRP A 62 -3.129 11.131 -17.582 1.00 22.53 H new ATOM 0 HD1 TRP A 62 -3.509 14.783 -18.171 1.00 53.01 H new ATOM 0 HE1 TRP A 62 -5.977 15.416 -18.621 1.00 22.43 H new ATOM 0 HE3 TRP A 62 -5.361 10.082 -18.935 1.00 70.44 H new ATOM 0 HZ2 TRP A 62 -8.362 14.052 -19.223 1.00 63.23 H new ATOM 0 HZ3 TRP A 62 -7.754 9.824 -19.446 1.00 22.24 H new ATOM 0 HH2 TRP A 62 -9.235 11.784 -19.592 1.00 43.24 H new ATOM 975 N LYS A 63 -2.154 14.184 -15.830 1.00 23.40 N ATOM 976 CA LYS A 63 -2.295 14.491 -14.411 1.00 52.14 C ATOM 977 C LYS A 63 -3.766 14.551 -14.011 1.00 24.33 C ATOM 978 O LYS A 63 -4.439 15.556 -14.237 1.00 41.02 O ATOM 979 CB LYS A 63 -1.612 15.821 -14.086 1.00 44.12 C ATOM 980 CG LYS A 63 -1.361 16.029 -12.602 1.00 53.51 C ATOM 981 CD LYS A 63 -0.446 14.955 -12.036 1.00 4.40 C ATOM 982 CE LYS A 63 -1.197 14.020 -11.100 1.00 40.12 C ATOM 983 NZ LYS A 63 -0.330 13.529 -9.994 1.00 71.35 N1+ ATOM 0 H LYS A 63 -2.286 14.984 -16.449 1.00 23.40 H new ATOM 0 HA LYS A 63 -1.815 13.695 -13.843 1.00 52.14 H new ATOM 0 HB2 LYS A 63 -0.662 15.871 -14.617 1.00 44.12 H new ATOM 0 HB3 LYS A 63 -2.230 16.638 -14.460 1.00 44.12 H new ATOM 0 HG2 LYS A 63 -0.915 17.010 -12.441 1.00 53.51 H new ATOM 0 HG3 LYS A 63 -2.310 16.019 -12.066 1.00 53.51 H new ATOM 0 HD2 LYS A 63 -0.009 14.380 -12.853 1.00 4.40 H new ATOM 0 HD3 LYS A 63 0.379 15.424 -11.499 1.00 4.40 H new ATOM 0 HE2 LYS A 63 -2.059 14.540 -10.682 1.00 40.12 H new ATOM 0 HE3 LYS A 63 -1.580 13.171 -11.666 1.00 40.12 H new ATOM 0 HZ1 LYS A 63 -0.704 12.628 -9.633 1.00 71.35 H new ATOM 0 HZ2 LYS A 63 0.637 13.385 -10.349 1.00 71.35 H new ATOM 0 HZ3 LYS A 63 -0.316 14.230 -9.226 1.00 71.35 H new ATOM 997 N ARG A 64 -4.257 13.469 -13.415 1.00 23.41 N ATOM 998 CA ARG A 64 -5.648 13.400 -12.984 1.00 20.52 C ATOM 999 C ARG A 64 -5.740 13.265 -11.467 1.00 15.01 C ATOM 1000 O ARG A 64 -5.076 12.420 -10.867 1.00 71.20 O ATOM 1001 CB ARG A 64 -6.354 12.221 -13.655 1.00 61.21 C ATOM 1002 CG ARG A 64 -7.180 12.616 -14.869 1.00 3.44 C ATOM 1003 CD ARG A 64 -7.408 11.433 -15.797 1.00 21.45 C ATOM 1004 NE ARG A 64 -8.538 10.613 -15.371 1.00 4.33 N ATOM 1005 CZ ARG A 64 -8.748 9.372 -15.796 1.00 63.22 C ATOM 1006 NH1 ARG A 64 -7.908 8.812 -16.656 1.00 72.12 N1+ ATOM 1007 NH2 ARG A 64 -9.800 8.689 -15.363 1.00 55.42 N ATOM 0 H ARG A 64 -3.712 12.629 -13.220 1.00 23.41 H new ATOM 0 HA ARG A 64 -6.141 14.326 -13.280 1.00 20.52 H new ATOM 0 HB2 ARG A 64 -5.608 11.486 -13.957 1.00 61.21 H new ATOM 0 HB3 ARG A 64 -7.003 11.735 -12.927 1.00 61.21 H new ATOM 0 HG2 ARG A 64 -8.141 13.014 -14.543 1.00 3.44 H new ATOM 0 HG3 ARG A 64 -6.672 13.413 -15.412 1.00 3.44 H new ATOM 0 HD2 ARG A 64 -7.585 11.796 -16.810 1.00 21.45 H new ATOM 0 HD3 ARG A 64 -6.507 10.820 -15.831 1.00 21.45 H new ATOM 0 HE ARG A 64 -9.203 11.015 -14.710 1.00 4.33 H new ATOM 0 HH11 ARG A 64 -7.099 9.334 -16.992 1.00 72.12 H new ATOM 0 HH12 ARG A 64 -8.071 7.859 -16.981 1.00 72.12 H new ATOM 0 HH21 ARG A 64 -10.449 9.117 -14.703 1.00 55.42 H new ATOM 0 HH22 ARG A 64 -9.960 7.736 -15.691 1.00 55.42 H new ATOM 1021 N SER A 65 -6.568 14.104 -10.853 1.00 20.12 N ATOM 1022 CA SER A 65 -6.745 14.082 -9.405 1.00 63.33 C ATOM 1023 C SER A 65 -8.226 14.090 -9.039 1.00 1.01 C ATOM 1024 O SER A 65 -9.032 14.760 -9.682 1.00 23.41 O ATOM 1025 CB SER A 65 -6.043 15.282 -8.766 1.00 25.02 C ATOM 1026 OG SER A 65 -6.557 16.502 -9.270 1.00 51.35 O ATOM 0 H SER A 65 -7.127 14.808 -11.335 1.00 20.12 H new ATOM 0 HA SER A 65 -6.299 13.164 -9.023 1.00 63.33 H new ATOM 0 HB2 SER A 65 -6.172 15.249 -7.684 1.00 25.02 H new ATOM 0 HB3 SER A 65 -4.972 15.227 -8.961 1.00 25.02 H new ATOM 0 HG SER A 65 -6.093 17.253 -8.845 1.00 51.35 H new ATOM 1032 N GLY A 66 -8.576 13.340 -7.998 1.00 0.14 N ATOM 1033 CA GLY A 66 -9.958 13.275 -7.562 1.00 32.50 C ATOM 1034 C GLY A 66 -10.572 11.907 -7.786 1.00 23.21 C ATOM 1035 O GLY A 66 -11.466 11.493 -7.051 1.00 21.34 O ATOM 0 H GLY A 66 -7.927 12.776 -7.449 1.00 0.14 H new ATOM 0 HA2 GLY A 66 -10.014 13.526 -6.503 1.00 32.50 H new ATOM 0 HA3 GLY A 66 -10.541 14.024 -8.098 1.00 32.50 H new ATOM 1039 N ASN A 67 -10.092 11.204 -8.807 1.00 74.50 N ATOM 1040 CA ASN A 67 -10.600 9.875 -9.126 1.00 52.31 C ATOM 1041 C ASN A 67 -9.535 8.811 -8.883 1.00 13.21 C ATOM 1042 O ASN A 67 -9.781 7.811 -8.208 1.00 42.14 O ATOM 1043 CB ASN A 67 -11.067 9.822 -10.584 1.00 3.14 C ATOM 1044 CG ASN A 67 -12.516 10.242 -10.742 1.00 15.32 C ATOM 1045 OD1 ASN A 67 -13.272 10.282 -9.771 1.00 62.04 O ATOM 1046 ND2 ASN A 67 -12.909 10.557 -11.970 1.00 50.12 N ATOM 0 H ASN A 67 -9.352 11.533 -9.427 1.00 74.50 H new ATOM 0 HA ASN A 67 -11.447 9.671 -8.471 1.00 52.31 H new ATOM 0 HB2 ASN A 67 -10.435 10.472 -11.189 1.00 3.14 H new ATOM 0 HB3 ASN A 67 -10.941 8.809 -10.967 1.00 3.14 H new ATOM 0 HD21 ASN A 67 -13.872 10.847 -12.139 1.00 50.12 H new ATOM 0 HD22 ASN A 67 -12.248 10.509 -12.745 1.00 50.12 H new ATOM 1053 N LYS A 68 -8.348 9.032 -9.439 1.00 13.24 N ATOM 1054 CA LYS A 68 -7.243 8.094 -9.281 1.00 70.13 C ATOM 1055 C LYS A 68 -5.901 8.813 -9.388 1.00 24.21 C ATOM 1056 O LYS A 68 -5.849 10.037 -9.502 1.00 24.20 O ATOM 1057 CB LYS A 68 -7.328 6.992 -10.339 1.00 61.12 C ATOM 1058 CG LYS A 68 -8.531 6.080 -10.171 1.00 42.15 C ATOM 1059 CD LYS A 68 -8.459 5.295 -8.873 1.00 51.10 C ATOM 1060 CE LYS A 68 -7.244 4.380 -8.840 1.00 54.14 C ATOM 1061 NZ LYS A 68 -7.394 3.294 -7.832 1.00 5.22 N1+ ATOM 0 H LYS A 68 -8.127 9.853 -10.003 1.00 13.24 H new ATOM 0 HA LYS A 68 -7.318 7.645 -8.291 1.00 70.13 H new ATOM 0 HB2 LYS A 68 -7.365 7.451 -11.327 1.00 61.12 H new ATOM 0 HB3 LYS A 68 -6.419 6.392 -10.300 1.00 61.12 H new ATOM 0 HG2 LYS A 68 -9.444 6.675 -10.187 1.00 42.15 H new ATOM 0 HG3 LYS A 68 -8.585 5.389 -11.012 1.00 42.15 H new ATOM 0 HD2 LYS A 68 -8.418 5.986 -8.031 1.00 51.10 H new ATOM 0 HD3 LYS A 68 -9.366 4.702 -8.755 1.00 51.10 H new ATOM 0 HE2 LYS A 68 -7.093 3.941 -9.826 1.00 54.14 H new ATOM 0 HE3 LYS A 68 -6.354 4.966 -8.612 1.00 54.14 H new ATOM 0 HZ1 LYS A 68 -6.546 2.693 -7.841 1.00 5.22 H new ATOM 0 HZ2 LYS A 68 -7.513 3.712 -6.887 1.00 5.22 H new ATOM 0 HZ3 LYS A 68 -8.229 2.718 -8.063 1.00 5.22 H new ATOM 1075 N SER A 69 -4.818 8.042 -9.350 1.00 71.50 N ATOM 1076 CA SER A 69 -3.476 8.606 -9.440 1.00 14.31 C ATOM 1077 C SER A 69 -3.185 9.094 -10.855 1.00 24.23 C ATOM 1078 O SER A 69 -4.018 8.963 -11.752 1.00 73.23 O ATOM 1079 CB SER A 69 -2.435 7.565 -9.023 1.00 24.24 C ATOM 1080 OG SER A 69 -2.107 7.692 -7.651 1.00 64.42 O ATOM 0 H SER A 69 -4.844 7.027 -9.258 1.00 71.50 H new ATOM 0 HA SER A 69 -3.420 9.458 -8.763 1.00 14.31 H new ATOM 0 HB2 SER A 69 -2.820 6.564 -9.217 1.00 24.24 H new ATOM 0 HB3 SER A 69 -1.536 7.683 -9.627 1.00 24.24 H new ATOM 0 HG SER A 69 -1.441 7.014 -7.410 1.00 64.42 H new ATOM 1086 N SER A 70 -1.997 9.659 -11.047 1.00 24.02 N ATOM 1087 CA SER A 70 -1.597 10.172 -12.352 1.00 70.11 C ATOM 1088 C SER A 70 -1.410 9.033 -13.349 1.00 12.53 C ATOM 1089 O SER A 70 -0.615 8.120 -13.125 1.00 34.55 O ATOM 1090 CB SER A 70 -0.301 10.976 -12.232 1.00 35.12 C ATOM 1091 OG SER A 70 0.829 10.169 -12.512 1.00 4.53 O ATOM 0 H SER A 70 -1.295 9.773 -10.316 1.00 24.02 H new ATOM 0 HA SER A 70 -2.390 10.825 -12.716 1.00 70.11 H new ATOM 0 HB2 SER A 70 -0.328 11.820 -12.921 1.00 35.12 H new ATOM 0 HB3 SER A 70 -0.217 11.388 -11.226 1.00 35.12 H new ATOM 0 HG SER A 70 1.154 10.364 -13.416 1.00 4.53 H new ATOM 1097 N VAL A 71 -2.150 9.093 -14.452 1.00 24.14 N ATOM 1098 CA VAL A 71 -2.067 8.068 -15.485 1.00 51.23 C ATOM 1099 C VAL A 71 -1.612 8.662 -16.814 1.00 35.12 C ATOM 1100 O VAL A 71 -1.382 9.867 -16.921 1.00 54.32 O ATOM 1101 CB VAL A 71 -3.422 7.363 -15.688 1.00 54.41 C ATOM 1102 CG1 VAL A 71 -3.696 6.395 -14.547 1.00 13.52 C ATOM 1103 CG2 VAL A 71 -4.541 8.387 -15.810 1.00 25.23 C ATOM 0 H VAL A 71 -2.814 9.841 -14.653 1.00 24.14 H new ATOM 0 HA VAL A 71 -1.333 7.337 -15.146 1.00 51.23 H new ATOM 0 HB VAL A 71 -3.380 6.791 -16.615 1.00 54.41 H new ATOM 0 HG11 VAL A 71 -4.657 5.906 -14.707 1.00 13.52 H new ATOM 0 HG12 VAL A 71 -2.908 5.643 -14.511 1.00 13.52 H new ATOM 0 HG13 VAL A 71 -3.720 6.941 -13.604 1.00 13.52 H new ATOM 0 HG21 VAL A 71 -5.491 7.872 -15.953 1.00 25.23 H new ATOM 0 HG22 VAL A 71 -4.586 8.987 -14.901 1.00 25.23 H new ATOM 0 HG23 VAL A 71 -4.348 9.037 -16.664 1.00 25.23 H new ATOM 1113 N CYS A 72 -1.485 7.809 -17.825 1.00 12.23 N ATOM 1114 CA CYS A 72 -1.058 8.249 -19.147 1.00 12.45 C ATOM 1115 C CYS A 72 -2.250 8.368 -20.092 1.00 40.11 C ATOM 1116 O CYS A 72 -3.255 7.678 -19.929 1.00 33.42 O ATOM 1117 CB CYS A 72 -0.030 7.273 -19.726 1.00 45.13 C ATOM 1118 SG CYS A 72 1.694 7.847 -19.601 1.00 32.40 S ATOM 0 H CYS A 72 -1.672 6.809 -17.753 1.00 12.23 H new ATOM 0 HA CYS A 72 -0.598 9.232 -19.044 1.00 12.45 H new ATOM 0 HB2 CYS A 72 -0.122 6.317 -19.210 1.00 45.13 H new ATOM 0 HB3 CYS A 72 -0.266 7.093 -20.775 1.00 45.13 H new ATOM 1123 N ALA A 73 -2.128 9.248 -21.081 1.00 13.24 N ATOM 1124 CA ALA A 73 -3.194 9.456 -22.053 1.00 74.50 C ATOM 1125 C ALA A 73 -2.625 9.796 -23.427 1.00 24.12 C ATOM 1126 O ALA A 73 -1.509 10.299 -23.557 1.00 21.35 O ATOM 1127 CB ALA A 73 -4.131 10.558 -21.582 1.00 34.14 C ATOM 0 H ALA A 73 -1.302 9.828 -21.230 1.00 13.24 H new ATOM 0 HA ALA A 73 -3.758 8.527 -22.141 1.00 74.50 H new ATOM 0 HB1 ALA A 73 -4.922 10.702 -22.318 1.00 34.14 H new ATOM 0 HB2 ALA A 73 -4.572 10.277 -20.626 1.00 34.14 H new ATOM 0 HB3 ALA A 73 -3.571 11.486 -21.464 1.00 34.14 H new ATOM 1133 N PRO A 74 -3.408 9.514 -24.479 1.00 1.12 N ATOM 1134 CA PRO A 74 -3.002 9.781 -25.862 1.00 3.31 C ATOM 1135 C PRO A 74 -2.953 11.273 -26.173 1.00 22.40 C ATOM 1136 O PRO A 74 -3.428 12.097 -25.390 1.00 42.32 O ATOM 1137 CB PRO A 74 -4.094 9.098 -26.690 1.00 34.51 C ATOM 1138 CG PRO A 74 -5.285 9.067 -25.796 1.00 43.20 C ATOM 1139 CD PRO A 74 -4.750 8.913 -24.398 1.00 71.33 C ATOM 0 HA PRO A 74 -1.997 9.414 -26.070 1.00 3.31 H new ATOM 0 HB2 PRO A 74 -4.301 9.652 -27.606 1.00 34.51 H new ATOM 0 HB3 PRO A 74 -3.795 8.092 -26.986 1.00 34.51 H new ATOM 0 HG2 PRO A 74 -5.869 9.983 -25.892 1.00 43.20 H new ATOM 0 HG3 PRO A 74 -5.946 8.239 -26.054 1.00 43.20 H new ATOM 0 HD2 PRO A 74 -5.377 9.426 -23.669 1.00 71.33 H new ATOM 0 HD3 PRO A 74 -4.704 7.866 -24.098 1.00 71.33 H new ATOM 1147 N ILE A 75 -2.378 11.615 -27.321 1.00 63.22 N ATOM 1148 CA ILE A 75 -2.269 13.007 -27.737 1.00 21.04 C ATOM 1149 C ILE A 75 -3.629 13.696 -27.713 1.00 1.24 C ATOM 1150 O ILE A 75 -4.665 13.055 -27.888 1.00 71.12 O ATOM 1151 CB ILE A 75 -1.668 13.129 -29.149 1.00 11.12 C ATOM 1152 CG1 ILE A 75 -2.374 12.172 -30.112 1.00 51.41 C ATOM 1153 CG2 ILE A 75 -0.174 12.847 -29.115 1.00 51.24 C ATOM 1154 CD1 ILE A 75 -2.199 12.540 -31.568 1.00 54.32 C ATOM 0 H ILE A 75 -1.980 10.946 -27.980 1.00 63.22 H new ATOM 0 HA ILE A 75 -1.604 13.497 -27.026 1.00 21.04 H new ATOM 0 HB ILE A 75 -1.818 14.149 -29.504 1.00 11.12 H new ATOM 0 HG12 ILE A 75 -1.993 11.163 -29.953 1.00 51.41 H new ATOM 0 HG13 ILE A 75 -3.438 12.152 -29.876 1.00 51.41 H new ATOM 0 HG21 ILE A 75 0.236 12.937 -30.121 1.00 51.24 H new ATOM 0 HG22 ILE A 75 0.317 13.564 -28.457 1.00 51.24 H new ATOM 0 HG23 ILE A 75 -0.003 11.837 -28.743 1.00 51.24 H new ATOM 0 HD11 ILE A 75 -2.726 11.818 -32.192 1.00 54.32 H new ATOM 0 HD12 ILE A 75 -2.606 13.536 -31.743 1.00 54.32 H new ATOM 0 HD13 ILE A 75 -1.139 12.532 -31.820 1.00 54.32 H new ATOM 1166 N THR A 76 -3.619 15.008 -27.498 1.00 52.02 N ATOM 1167 CA THR A 76 -4.851 15.785 -27.454 1.00 31.24 C ATOM 1168 C THR A 76 -4.737 17.046 -28.301 1.00 33.21 C ATOM 1169 O THR A 76 -5.284 17.118 -29.403 1.00 71.35 O ATOM 1170 CB THR A 76 -5.213 16.181 -26.010 1.00 2.31 C ATOM 1171 OG1 THR A 76 -4.327 17.206 -25.547 1.00 24.25 O ATOM 1172 CG2 THR A 76 -5.134 14.978 -25.082 1.00 61.00 C ATOM 0 H THR A 76 -2.770 15.555 -27.352 1.00 52.02 H new ATOM 0 HA THR A 76 -5.640 15.150 -27.858 1.00 31.24 H new ATOM 0 HB THR A 76 -6.236 16.556 -26.005 1.00 2.31 H new ATOM 0 HG1 THR A 76 -4.565 17.454 -24.629 1.00 24.25 H new ATOM 0 HG21 THR A 76 -5.394 15.283 -24.068 1.00 61.00 H new ATOM 0 HG22 THR A 76 -5.831 14.211 -25.420 1.00 61.00 H new ATOM 0 HG23 THR A 76 -4.121 14.577 -25.092 1.00 61.00 H new TER 1180 THR A 76